4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyrimidin-2-amine

C20H20N4 — CID 112890188

IUPAC4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyrimidin-2-amine
SMILESCc1cccc(CNc2nccc(N3CCc4ccccc43)n2)c1
InChIInChI=1S/C20H20N4/c1-15-5-4-6-16(13-15)14-22-20-21-11-9-19(23-20)24-12-10-17-7-2-3-8-18(17)24/h2-9,11,13H,10,12,14H2,1H3,(H,21,22,23)
InChIKeyRWYGMEANACLZJV-UHFFFAOYSA-N
MW316.41 g/mol
LogP4.09
Rot. Bonds4

About 4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyrimidin-2-amine

4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyrimidin-2-amine (PubChem CID 112890188) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyrimidin-2-amine
PubChem CID112890188
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyrimidin-2-amine
SMILESCc1cccc(CNc2nccc(N3CCc4ccccc43)n2)c1
InChIInChI=1S/C20H20N4/c1-15-5-4-6-16(13-15)14-22-20-21-11-9-19(23-20)24-12-10-17-7-2-3-8-18(17)24/h2-9,11,13H,10,12,14H2,1H3,(H,21,22,23)
InChIKeyRWYGMEANACLZJV-UHFFFAOYSA-N
XLogP4.09
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dihydroindol-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
CID 112894122
4-(2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 112883419
4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
CID 112897300
4-(2,3-dihydroindol-1-yl)-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 129086093
4-(2,3-dihydroindol-1-yl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 112902262
4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210211
2,3-dihydroindol-1-yl-[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]methanone
CID 109255992
1-[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62281361
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(3-methylphenyl)methyl]pyrimidin-2-amine
CID 112890151
N-(5-chloro-2-methylphenyl)-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112902192
6-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118400
N-[2-(2,4-dichlorophenyl)ethyl]-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112901514

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyrimidin-2-amine (CID 112890188) is 4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyrimidin-2-amine is Cc1cccc(CNc2nccc(N3CCc4ccccc43)n2)c1.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyrimidin-2-amine?
The InChIKey is RWYGMEANACLZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c1-15-5-4-6-16(13-15)14-22-20-21-11-9-19(23-20)24-12-10-17-7-2-3-8-18(17)24/h2-9,11,13H,10,12,14H2,1H3,(H,21,22,23).
What are the key properties of 4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyrimidin-2-amine?
4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyrimidin-2-amine has a molecular weight of 316.41 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 112890188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).