5-(3-methoxyphenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine

C20H18N4O — CID 45271731

IUPAC5-(3-methoxyphenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine
SMILESCOc1cccc(-c2cnc(N)nc2-c2cn(C)c3ccccc23)c1
InChIInChI=1S/C20H18N4O/c1-24-12-17(15-8-3-4-9-18(15)24)19-16(11-22-20(21)23-19)13-6-5-7-14(10-13)25-2/h3-12H,1-2H3,(H2,21,22,23)
InChIKeyPBXJKVHTYJCPRX-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.89
Rot. Bonds3

About 5-(3-methoxyphenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine

5-(3-methoxyphenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine (PubChem CID 45271731) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine
PubChem CID45271731
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name5-(3-methoxyphenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine
SMILESCOc1cccc(-c2cnc(N)nc2-c2cn(C)c3ccccc23)c1
InChIInChI=1S/C20H18N4O/c1-24-12-17(15-8-3-4-9-18(15)24)19-16(11-22-20(21)23-19)13-6-5-7-14(10-13)25-2/h3-12H,1-2H3,(H2,21,22,23)
InChIKeyPBXJKVHTYJCPRX-UHFFFAOYSA-N
XLogP3.89
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine?
The IUPAC name of 5-(3-methoxyphenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine (CID 45271731) is 5-(3-methoxyphenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(3-methoxyphenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(3-methoxyphenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine is COc1cccc(-c2cnc(N)nc2-c2cn(C)c3ccccc23)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine?
The InChIKey is PBXJKVHTYJCPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-24-12-17(15-8-3-4-9-18(15)24)19-16(11-22-20(21)23-19)13-6-5-7-14(10-13)25-2/h3-12H,1-2H3,(H2,21,22,23).
What are the key properties of 5-(3-methoxyphenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine?
5-(3-methoxyphenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine has a molecular weight of 330.39 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 45271731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).