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

C20H18N4O — CID 175832975

IUPACN-(2-methoxyphenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine
SMILESCOc1ccccc1Nc1nccc(-c2cn(C)c3ccccc23)n1
InChIInChI=1S/C20H18N4O/c1-24-13-15(14-7-3-5-9-18(14)24)16-11-12-21-20(22-16)23-17-8-4-6-10-19(17)25-2/h3-13H,1-2H3,(H,21,22,23)
InChIKeyJXKYEYSMILWXRI-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.39
Rot. Bonds4

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

N-(2-methoxyphenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine (PubChem CID 175832975) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine
PubChem CID175832975
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN-(2-methoxyphenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine
SMILESCOc1ccccc1Nc1nccc(-c2cn(C)c3ccccc23)n1
InChIInChI=1S/C20H18N4O/c1-24-13-15(14-7-3-5-9-18(14)24)16-11-12-21-20(22-16)23-17-8-4-6-10-19(17)25-2/h3-13H,1-2H3,(H,21,22,23)
InChIKeyJXKYEYSMILWXRI-UHFFFAOYSA-N
XLogP4.39
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine?
The IUPAC name of N-(2-methoxyphenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine (CID 175832975) is N-(2-methoxyphenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-(2-methoxyphenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine is COc1ccccc1Nc1nccc(-c2cn(C)c3ccccc23)n1.
What is the InChIKey of N-(2-methoxyphenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine?
The InChIKey is JXKYEYSMILWXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-24-13-15(14-7-3-5-9-18(14)24)16-11-12-21-20(22-16)23-17-8-4-6-10-19(17)25-2/h3-13H,1-2H3,(H,21,22,23).
What are the key properties of N-(2-methoxyphenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine?
N-(2-methoxyphenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine has a molecular weight of 330.39 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 175832975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).