4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine

C22H24N4O2 — CID 112897300

IUPAC4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
SMILESCOc1ccc(CNc2nccc(N3CCCc4ccccc43)n2)cc1OC
InChIInChI=1S/C22H24N4O2/c1-27-19-10-9-16(14-20(19)28-2)15-24-22-23-12-11-21(25-22)26-13-5-7-17-6-3-4-8-18(17)26/h3-4,6,8-12,14H,5,7,13,15H2,1-2H3,(H,23,24,25)
InChIKeyNHOFWKOKGBQPDU-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.19
Rot. Bonds6

About 4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine

4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine (PubChem CID 112897300) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
PubChem CID112897300
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
SMILESCOc1ccc(CNc2nccc(N3CCCc4ccccc43)n2)cc1OC
InChIInChI=1S/C22H24N4O2/c1-27-19-10-9-16(14-20(19)28-2)15-24-22-23-12-11-21(25-22)26-13-5-7-17-6-3-4-8-18(17)26/h3-4,6,8-12,14H,5,7,13,15H2,1-2H3,(H,23,24,25)
InChIKeyNHOFWKOKGBQPDU-UHFFFAOYSA-N
XLogP4.19
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine with MolForge

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine
CID 112902343
4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyrimidin-2-amine
CID 112890188
N-[4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112887804
5-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 112950932
4-(2,3-dihydroindol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyrimidin-2-amine
CID 112922578
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890732
N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
CID 2446536
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
N-[(3,4-dimethoxyphenyl)methyl]-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine
CID 112897280
1-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-7-ol
CID 56968674
4-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidin-2-amine
CID 112921049

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine (CID 112897300) is 4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine is COc1ccc(CNc2nccc(N3CCCc4ccccc43)n2)cc1OC.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine?
The InChIKey is NHOFWKOKGBQPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-27-19-10-9-16(14-20(19)28-2)15-24-22-23-12-11-21(25-22)26-13-5-7-17-6-3-4-8-18(17)26/h3-4,6,8-12,14H,5,7,13,15H2,1-2H3,(H,23,24,25).
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine?
4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine has a molecular weight of 376.46 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 112897300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).