N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine

C23H24N6OS — CID 56949357

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine
SMILESCc1nc(C)c(CNc2nc(OC[C@H]3C[C@@H]3c3ccc4ncccc4n3)ncc2C)s1
InChIInChI=1S/C23H24N6OS/c1-13-10-26-23(29-22(13)25-11-21-14(2)27-15(3)31-21)30-12-16-9-17(16)18-6-7-19-20(28-18)5-4-8-24-19/h4-8,10,16-17H,9,11-12H2,1-3H3,(H,25,26,29)/t16-,17+/m1/s1
InChIKeyQSAKVKNWBJXZLL-SJORKVTESA-N
MW432.55 g/mol
LogP4.60
Rot. Bonds7

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine (PubChem CID 56949357) has the molecular formula C23H24N6OS and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine
PubChem CID56949357
Molecular FormulaC23H24N6OS
Molecular Weight432.55 g/mol
Exact Mass432.17
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine
SMILESCc1nc(C)c(CNc2nc(OC[C@H]3C[C@@H]3c3ccc4ncccc4n3)ncc2C)s1
InChIInChI=1S/C23H24N6OS/c1-13-10-26-23(29-22(13)25-11-21-14(2)27-15(3)31-21)30-12-16-9-17(16)18-6-7-19-20(28-18)5-4-8-24-19/h4-8,10,16-17H,9,11-12H2,1-3H3,(H,25,26,29)/t16-,17+/m1/s1
InChIKeyQSAKVKNWBJXZLL-SJORKVTESA-N
XLogP4.60
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[3-(quinolin-2-yl)propoxy]pyrimidin-4-amine
CID 56949451
6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[(2-quinolin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine
CID 56949351
6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
CID 86766620
6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[3-(1,8-naphthyridin-2-yl)propoxy]pyrimidin-4-amine
CID 122192119
6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-(3-quinoxalin-2-ylpropoxy)pyrimidin-4-amine
CID 122192120
6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[(2-pyrazolo[1,5-a]pyridin-2-ylcyclopropyl)methoxy]pyrimidin-4-amine
CID 127041841
6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[[2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine
CID 127041888
6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[[2-(4-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine
CID 127042526
6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[[(1R,2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
CID 89633452
5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-methylsulfanyl-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
CID 56949355
6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[[(1R,2R)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
CID 56963094
6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[(2-pyridin-4-ylcyclopropyl)methoxy]pyrimidin-4-amine
CID 127038242

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine (CID 56949357) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine is Cc1nc(C)c(CNc2nc(OC[C@H]3C[C@@H]3c3ccc4ncccc4n3)ncc2C)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine?
The InChIKey is QSAKVKNWBJXZLL-SJORKVTESA-N. The full InChI is InChI=1S/C23H24N6OS/c1-13-10-26-23(29-22(13)25-11-21-14(2)27-15(3)31-21)30-12-16-9-17(16)18-6-7-19-20(28-18)5-4-8-24-19/h4-8,10,16-17H,9,11-12H2,1-3H3,(H,25,26,29)/t16-,17+/m1/s1.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine has a molecular weight of 432.55 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[[(1S,2S)-2-(1,5-naphthyridin-2-yl)cyclopropyl]methoxy]pyrimidin-4-amine is sourced from PubChem (CID 56949357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).