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

C24H24ClN5OS — CID 56963094

IUPAC6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[[(1R,2R)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
SMILESCc1nc(C)c(CNc2nc(OC[C@@H]3C[C@H]3c3ccc4ccccc4n3)nc(Cl)c2C)s1
InChIInChI=1S/C24H24ClN5OS/c1-13-22(25)29-24(30-23(13)26-11-21-14(2)27-15(3)32-21)31-12-17-10-18(17)20-9-8-16-6-4-5-7-19(16)28-20/h4-9,17-18H,10-12H2,1-3H3,(H,26,29,30)/t17-,18+/m0/s1
InChIKeyGUEJPHBZVNDVDW-ZWKOTPCHSA-N
MW466.01 g/mol
LogP5.85
Rot. Bonds7

About 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

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 (PubChem CID 56963094) has the molecular formula C24H24ClN5OS and a molecular weight of 466.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[[(1R,2R)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
PubChem CID56963094
Molecular FormulaC24H24ClN5OS
Molecular Weight466.01 g/mol
Exact Mass465.14
IUPAC Name6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-[[(1R,2R)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
SMILESCc1nc(C)c(CNc2nc(OC[C@@H]3C[C@H]3c3ccc4ccccc4n3)nc(Cl)c2C)s1
InChIInChI=1S/C24H24ClN5OS/c1-13-22(25)29-24(30-23(13)26-11-21-14(2)27-15(3)32-21)31-12-17-10-18(17)20-9-8-16-6-4-5-7-19(16)28-20/h4-9,17-18H,10-12H2,1-3H3,(H,26,29,30)/t17-,18+/m0/s1
InChIKeyGUEJPHBZVNDVDW-ZWKOTPCHSA-N
XLogP5.85
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.01
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(C)c(CNc2nc(OC[C@@H]3C[C@H]3c3ccc4ccccc4n3)nc(Cl)c2C)s1.
What is the InChIKey of 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?
The InChIKey is GUEJPHBZVNDVDW-ZWKOTPCHSA-N. The full InChI is InChI=1S/C24H24ClN5OS/c1-13-22(25)29-24(30-23(13)26-11-21-14(2)27-15(3)32-21)31-12-17-10-18(17)20-9-8-16-6-4-5-7-19(16)28-20/h4-9,17-18H,10-12H2,1-3H3,(H,26,29,30)/t17-,18+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 466.01 g/mol, XLogP of 5.85, 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-[[(1R,2R)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine is sourced from PubChem (CID 56963094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).