N-(3-methoxyphenyl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine

C18H15N5O — CID 24992713

IUPACN-(3-methoxyphenyl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine
SMILESCOc1cccc(Nc2nccc(-c3c[nH]c4ccncc34)n2)c1
InChIInChI=1S/C18H15N5O/c1-24-13-4-2-3-12(9-13)22-18-20-8-6-17(23-18)15-11-21-16-5-7-19-10-14(15)16/h2-11,21H,1H3,(H,20,22,23)
InChIKeyJHJAEKGKIXUEPT-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.77
Rot. Bonds4

About N-(3-methoxyphenyl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine

N-(3-methoxyphenyl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine (PubChem CID 24992713) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine
PubChem CID24992713
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC NameN-(3-methoxyphenyl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine
SMILESCOc1cccc(Nc2nccc(-c3c[nH]c4ccncc34)n2)c1
InChIInChI=1S/C18H15N5O/c1-24-13-4-2-3-12(9-13)22-18-20-8-6-17(23-18)15-11-21-16-5-7-19-10-14(15)16/h2-11,21H,1H3,(H,20,22,23)
InChIKeyJHJAEKGKIXUEPT-UHFFFAOYSA-N
XLogP3.77
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine?
The IUPAC name of N-(3-methoxyphenyl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine (CID 24992713) is N-(3-methoxyphenyl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3-methoxyphenyl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine is COc1cccc(Nc2nccc(-c3c[nH]c4ccncc34)n2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine?
The InChIKey is JHJAEKGKIXUEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-24-13-4-2-3-12(9-13)22-18-20-8-6-17(23-18)15-11-21-16-5-7-19-10-14(15)16/h2-11,21H,1H3,(H,20,22,23).
What are the key properties of N-(3-methoxyphenyl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine?
N-(3-methoxyphenyl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine has a molecular weight of 317.35 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 24992713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).