4-(5-methoxy-1H-indol-3-yl)-N-phenylpyrimidin-2-amine

C19H16N4O — CID 70148912

IUPAC4-(5-methoxy-1H-indol-3-yl)-N-phenylpyrimidin-2-amine
SMILESCOc1ccc2[nH]cc(-c3ccnc(Nc4ccccc4)n3)c2c1
InChIInChI=1S/C19H16N4O/c1-24-14-7-8-17-15(11-14)16(12-21-17)18-9-10-20-19(23-18)22-13-5-3-2-4-6-13/h2-12,21H,1H3,(H,20,22,23)
InChIKeyXWRSMZIGNFECHD-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.38
Rot. Bonds4

About 4-(5-methoxy-1H-indol-3-yl)-N-phenylpyrimidin-2-amine

4-(5-methoxy-1H-indol-3-yl)-N-phenylpyrimidin-2-amine (PubChem CID 70148912) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-(5-methoxy-1H-indol-3-yl)-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-methoxy-1H-indol-3-yl)-N-phenylpyrimidin-2-amine
PubChem CID70148912
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name4-(5-methoxy-1H-indol-3-yl)-N-phenylpyrimidin-2-amine
SMILESCOc1ccc2[nH]cc(-c3ccnc(Nc4ccccc4)n3)c2c1
InChIInChI=1S/C19H16N4O/c1-24-14-7-8-17-15(11-14)16(12-21-17)18-9-10-20-19(23-18)22-13-5-3-2-4-6-13/h2-12,21H,1H3,(H,20,22,23)
InChIKeyXWRSMZIGNFECHD-UHFFFAOYSA-N
XLogP4.38
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine
CID 24992713
4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine
CID 15653057
N-(2-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(3-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(4-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(2-methylphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 157498117
4-(5-chloro-7-fluoro-1H-indol-3-yl)-N-phenylpyrimidin-2-amine
CID 70156553
N-pyridin-2-yl-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine
CID 24992716
4-(1-benzyl-3-methylpyrazol-4-yl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 10292620
4-naphthalen-2-yl-N-phenylpyrimidin-2-amine
CID 66493679
2-(1H-indol-3-yl)-6-methoxyquinoline
CID 18729469
4-methoxy-N-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 164625490
N-cyclopropyl-4-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 129206885
N-(4-methoxyphenyl)-4-thiophen-2-ylpyrimidin-2-amine
CID 14346981
4-(5-bromo-1H-indol-3-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 139972662

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-1H-indol-3-yl)-N-phenylpyrimidin-2-amine?
The IUPAC name of 4-(5-methoxy-1H-indol-3-yl)-N-phenylpyrimidin-2-amine (CID 70148912) is 4-(5-methoxy-1H-indol-3-yl)-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-(5-methoxy-1H-indol-3-yl)-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-(5-methoxy-1H-indol-3-yl)-N-phenylpyrimidin-2-amine is COc1ccc2[nH]cc(-c3ccnc(Nc4ccccc4)n3)c2c1.
What is the InChIKey of 4-(5-methoxy-1H-indol-3-yl)-N-phenylpyrimidin-2-amine?
The InChIKey is XWRSMZIGNFECHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-24-14-7-8-17-15(11-14)16(12-21-17)18-9-10-20-19(23-18)22-13-5-3-2-4-6-13/h2-12,21H,1H3,(H,20,22,23).
What are the key properties of 4-(5-methoxy-1H-indol-3-yl)-N-phenylpyrimidin-2-amine?
4-(5-methoxy-1H-indol-3-yl)-N-phenylpyrimidin-2-amine has a molecular weight of 316.36 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-1H-indol-3-yl)-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 70148912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).