6-chloro-2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methyl-N-[(2-methyltriazol-4-yl)methyl]pyrimidin-4-amine

C19H22ClN7O2 — CID 56949363

IUPAC6-chloro-2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methyl-N-[(2-methyltriazol-4-yl)methyl]pyrimidin-4-amine
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc(Cl)c(C)c(NCc3cnn(C)n3)n2)nc1
InChIInChI=1S/C19H22ClN7O2/c1-11-17(20)24-19(25-18(11)22-7-13-8-23-27(2)26-13)29-10-12-6-15(12)16-5-4-14(28-3)9-21-16/h4-5,8-9,12,15H,6-7,10H2,1-3H3,(H,22,24,25)/t12-,15+/m1/s1
InChIKeyIGFLQJFCMVZLHD-DOMZBBRYSA-N
MW415.89 g/mol
LogP2.77
Rot. Bonds8

About 6-chloro-2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methyl-N-[(2-methyltriazol-4-yl)methyl]pyrimidin-4-amine

6-chloro-2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methyl-N-[(2-methyltriazol-4-yl)methyl]pyrimidin-4-amine (PubChem CID 56949363) has the molecular formula C19H22ClN7O2 and a molecular weight of 415.89 g/mol. Its IUPAC name is 6-chloro-2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methyl-N-[(2-methyltriazol-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methyl-N-[(2-methyltriazol-4-yl)methyl]pyrimidin-4-amine
PubChem CID56949363
Molecular FormulaC19H22ClN7O2
Molecular Weight415.89 g/mol
Exact Mass415.15
IUPAC Name6-chloro-2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methyl-N-[(2-methyltriazol-4-yl)methyl]pyrimidin-4-amine
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc(Cl)c(C)c(NCc3cnn(C)n3)n2)nc1
InChIInChI=1S/C19H22ClN7O2/c1-11-17(20)24-19(25-18(11)22-7-13-8-23-27(2)26-13)29-10-12-6-15(12)16-5-4-14(28-3)9-21-16/h4-5,8-9,12,15H,6-7,10H2,1-3H3,(H,22,24,25)/t12-,15+/m1/s1
InChIKeyIGFLQJFCMVZLHD-DOMZBBRYSA-N
XLogP2.77
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.89
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methyl-N-[(2-methyltriazol-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methyl-N-[(2-methyltriazol-4-yl)methyl]pyrimidin-4-amine (CID 56949363) is 6-chloro-2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methyl-N-[(2-methyltriazol-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methyl-N-[(2-methyltriazol-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methyl-N-[(2-methyltriazol-4-yl)methyl]pyrimidin-4-amine is COc1ccc([C@H]2C[C@@H]2COc2nc(Cl)c(C)c(NCc3cnn(C)n3)n2)nc1.
What is the InChIKey of 6-chloro-2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methyl-N-[(2-methyltriazol-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is IGFLQJFCMVZLHD-DOMZBBRYSA-N. The full InChI is InChI=1S/C19H22ClN7O2/c1-11-17(20)24-19(25-18(11)22-7-13-8-23-27(2)26-13)29-10-12-6-15(12)16-5-4-14(28-3)9-21-16/h4-5,8-9,12,15H,6-7,10H2,1-3H3,(H,22,24,25)/t12-,15+/m1/s1.
What are the key properties of 6-chloro-2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methyl-N-[(2-methyltriazol-4-yl)methyl]pyrimidin-4-amine?
6-chloro-2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methyl-N-[(2-methyltriazol-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 415.89 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5-methyl-N-[(2-methyltriazol-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 56949363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).