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

C20H22ClN5OS — CID 127038242

IUPAC6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[(2-pyridin-4-ylcyclopropyl)methoxy]pyrimidin-4-amine
SMILESCc1nc(C)c(CNc2nc(OCC3CC3c3ccncc3)nc(Cl)c2C)s1
InChIInChI=1S/C20H22ClN5OS/c1-11-18(21)25-20(26-19(11)23-9-17-12(2)24-13(3)28-17)27-10-15-8-16(15)14-4-6-22-7-5-14/h4-7,15-16H,8-10H2,1-3H3,(H,23,25,26)
InChIKeyZWNVQEUYBPXKNJ-UHFFFAOYSA-N
MW415.95 g/mol
LogP4.70
Rot. Bonds7

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

6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[(2-pyridin-4-ylcyclopropyl)methoxy]pyrimidin-4-amine (PubChem CID 127038242) has the molecular formula C20H22ClN5OS and a molecular weight of 415.95 g/mol. Its IUPAC name is 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[(2-pyridin-4-ylcyclopropyl)methoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[(2-pyridin-4-ylcyclopropyl)methoxy]pyrimidin-4-amine
PubChem CID127038242
Molecular FormulaC20H22ClN5OS
Molecular Weight415.95 g/mol
Exact Mass415.12
IUPAC Name6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[(2-pyridin-4-ylcyclopropyl)methoxy]pyrimidin-4-amine
SMILESCc1nc(C)c(CNc2nc(OCC3CC3c3ccncc3)nc(Cl)c2C)s1
InChIInChI=1S/C20H22ClN5OS/c1-11-18(21)25-20(26-19(11)23-9-17-12(2)24-13(3)28-17)27-10-15-8-16(15)14-4-6-22-7-5-14/h4-7,15-16H,8-10H2,1-3H3,(H,23,25,26)
InChIKeyZWNVQEUYBPXKNJ-UHFFFAOYSA-N
XLogP4.70
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.95
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(Pyridin-2-Yl)ethoxy]pyrimidin-4-Amine
CID 56949475
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-[(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]-2-[[2-(4-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methylpyrimidin-4-amine
CID 127041887
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-(4-pyridin-2-ylbutyl)pyrimidin-4-amine
CID 127042169
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
N-(5-(2-(cyclohexyloxy)-5-methylpyrimidin-4-yl)thiazol-2-yl)pyridin-2-amine
CID 44413527
6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-(2-phenylethoxy)pyrimidin-4-amine
CID 56949473

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[(2-pyridin-4-ylcyclopropyl)methoxy]pyrimidin-4-amine?
The IUPAC name of 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) is 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[(2-pyridin-4-ylcyclopropyl)methoxy]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[(2-pyridin-4-ylcyclopropyl)methoxy]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[(2-pyridin-4-ylcyclopropyl)methoxy]pyrimidin-4-amine is Cc1nc(C)c(CNc2nc(OCC3CC3c3ccncc3)nc(Cl)c2C)s1.
What is the InChIKey of 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[(2-pyridin-4-ylcyclopropyl)methoxy]pyrimidin-4-amine?
The InChIKey is ZWNVQEUYBPXKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5OS/c1-11-18(21)25-20(26-19(11)23-9-17-12(2)24-13(3)28-17)27-10-15-8-16(15)14-4-6-22-7-5-14/h4-7,15-16H,8-10H2,1-3H3,(H,23,25,26).
What are the key properties of 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[(2-pyridin-4-ylcyclopropyl)methoxy]pyrimidin-4-amine?
6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[(2-pyridin-4-ylcyclopropyl)methoxy]pyrimidin-4-amine has a molecular weight of 415.95 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[(2-pyridin-4-ylcyclopropyl)methoxy]pyrimidin-4-amine is sourced from PubChem (CID 127038242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).