N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-6-(1,3-oxazol-2-yl)-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine

C23H24N6O2S — CID 56949358

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-6-(1,3-oxazol-2-yl)-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
SMILESCc1nc(C)c(CNc2nc(OC[C@H]3C[C@@H]3c3ccccn3)nc(-c3ncco3)c2C)s1
InChIInChI=1S/C23H24N6O2S/c1-13-20(22-25-8-9-30-22)28-23(29-21(13)26-11-19-14(2)27-15(3)32-19)31-12-16-10-17(16)18-6-4-5-7-24-18/h4-9,16-17H,10-12H2,1-3H3,(H,26,28,29)/t16-,17+/m1/s1
InChIKeyNJVUBRVWXMXQDX-SJORKVTESA-N
MW448.55 g/mol
LogP4.70
Rot. Bonds8

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-6-(1,3-oxazol-2-yl)-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-6-(1,3-oxazol-2-yl)-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine (PubChem CID 56949358) has the molecular formula C23H24N6O2S and a molecular weight of 448.55 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-6-(1,3-oxazol-2-yl)-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-6-(1,3-oxazol-2-yl)-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
PubChem CID56949358
Molecular FormulaC23H24N6O2S
Molecular Weight448.55 g/mol
Exact Mass448.17
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-6-(1,3-oxazol-2-yl)-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
SMILESCc1nc(C)c(CNc2nc(OC[C@H]3C[C@@H]3c3ccccn3)nc(-c3ncco3)c2C)s1
InChIInChI=1S/C23H24N6O2S/c1-13-20(22-25-8-9-30-22)28-23(29-21(13)26-11-19-14(2)27-15(3)32-19)31-12-16-10-17(16)18-6-4-5-7-24-18/h4-9,16-17H,10-12H2,1-3H3,(H,26,28,29)/t16-,17+/m1/s1
InChIKeyNJVUBRVWXMXQDX-SJORKVTESA-N
XLogP4.70
TPSA98.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-6-(1,3-oxazol-2-yl)-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-6-(1,3-oxazol-2-yl)-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-6-(1,3-oxazol-2-yl)-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine (CID 56949358) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-6-(1,3-oxazol-2-yl)-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-6-(1,3-oxazol-2-yl)-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-6-(1,3-oxazol-2-yl)-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine is Cc1nc(C)c(CNc2nc(OC[C@H]3C[C@@H]3c3ccccn3)nc(-c3ncco3)c2C)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-6-(1,3-oxazol-2-yl)-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine?
The InChIKey is NJVUBRVWXMXQDX-SJORKVTESA-N. The full InChI is InChI=1S/C23H24N6O2S/c1-13-20(22-25-8-9-30-22)28-23(29-21(13)26-11-19-14(2)27-15(3)32-19)31-12-16-10-17(16)18-6-4-5-7-24-18/h4-9,16-17H,10-12H2,1-3H3,(H,26,28,29)/t16-,17+/m1/s1.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-6-(1,3-oxazol-2-yl)-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-6-(1,3-oxazol-2-yl)-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine has a molecular weight of 448.55 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-6-(1,3-oxazol-2-yl)-2-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine is sourced from PubChem (CID 56949358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).