2-(cyclopropylmethyl)-N-[(4-cyclopropyl-3-methylphenyl)methyl]pyrimidin-5-amine

C19H23N3 — CID 166384633

IUPAC2-(cyclopropylmethyl)-N-[(4-cyclopropyl-3-methylphenyl)methyl]pyrimidin-5-amine
SMILESCc1cc(CNc2cnc(CC3CC3)nc2)ccc1C1CC1
InChIInChI=1S/C19H23N3/c1-13-8-15(4-7-18(13)16-5-6-16)10-20-17-11-21-19(22-12-17)9-14-2-3-14/h4,7-8,11-12,14,16,20H,2-3,5-6,9-10H2,1H3
InChIKeyCDTNWWJZDMQLCK-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.23
Rot. Bonds6

About 2-(cyclopropylmethyl)-N-[(4-cyclopropyl-3-methylphenyl)methyl]pyrimidin-5-amine

2-(cyclopropylmethyl)-N-[(4-cyclopropyl-3-methylphenyl)methyl]pyrimidin-5-amine (PubChem CID 166384633) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-N-[(4-cyclopropyl-3-methylphenyl)methyl]pyrimidin-5-amine.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-N-[(4-cyclopropyl-3-methylphenyl)methyl]pyrimidin-5-amine
PubChem CID166384633
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name2-(cyclopropylmethyl)-N-[(4-cyclopropyl-3-methylphenyl)methyl]pyrimidin-5-amine
SMILESCc1cc(CNc2cnc(CC3CC3)nc2)ccc1C1CC1
InChIInChI=1S/C19H23N3/c1-13-8-15(4-7-18(13)16-5-6-16)10-20-17-11-21-19(22-12-17)9-14-2-3-14/h4,7-8,11-12,14,16,20H,2-3,5-6,9-10H2,1H3
InChIKeyCDTNWWJZDMQLCK-UHFFFAOYSA-N
XLogP4.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzylpyrimidin-5-amine
CID 819920
2,4-Disubstituted Pyrimidine 5f
CID 5329441
2-[4-[(2,4-Dimethylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 763322
2-[4-[(2,5-Dimethylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 792283
2-(4-Hexylphenyl)pyrimidin-5-amine
CID 603661
N2-(2,5-dimethylbenzyl)-N4-((4-(aminomethyl)cyclohexyl)methyl)-5-nitropyrimidine-2,4-diamine
CID 10318687
N*4*-(4-aminomethyl-cyclohexylmethyl)-N*2*-(2-methyl-benzyl)-5-nitro-pyrimidine-2,4-diamine
CID 10407691
N2-(2,3-dimethylbenzyl)-N4-((4-(aminomethyl)cyclohexyl)methyl)-5-nitropyrimidine-2,4-diamine
CID 10430990
2-(4-Methylbenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 25070581
2-(2-methylbenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepine
CID 54587668
2-(3-methylbenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepine
CID 54587669
2-(2-Isopropylphenyl)-5-methyl-N-(3-methylbenzyl)pyrimidin-4-amine
CID 60167827

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-N-[(4-cyclopropyl-3-methylphenyl)methyl]pyrimidin-5-amine?
The IUPAC name of 2-(cyclopropylmethyl)-N-[(4-cyclopropyl-3-methylphenyl)methyl]pyrimidin-5-amine (CID 166384633) is 2-(cyclopropylmethyl)-N-[(4-cyclopropyl-3-methylphenyl)methyl]pyrimidin-5-amine.
What is the SMILES notation for 2-(cyclopropylmethyl)-N-[(4-cyclopropyl-3-methylphenyl)methyl]pyrimidin-5-amine?
The canonical SMILES for 2-(cyclopropylmethyl)-N-[(4-cyclopropyl-3-methylphenyl)methyl]pyrimidin-5-amine is Cc1cc(CNc2cnc(CC3CC3)nc2)ccc1C1CC1.
What is the InChIKey of 2-(cyclopropylmethyl)-N-[(4-cyclopropyl-3-methylphenyl)methyl]pyrimidin-5-amine?
The InChIKey is CDTNWWJZDMQLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-13-8-15(4-7-18(13)16-5-6-16)10-20-17-11-21-19(22-12-17)9-14-2-3-14/h4,7-8,11-12,14,16,20H,2-3,5-6,9-10H2,1H3.
What are the key properties of 2-(cyclopropylmethyl)-N-[(4-cyclopropyl-3-methylphenyl)methyl]pyrimidin-5-amine?
2-(cyclopropylmethyl)-N-[(4-cyclopropyl-3-methylphenyl)methyl]pyrimidin-5-amine has a molecular weight of 293.41 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-N-[(4-cyclopropyl-3-methylphenyl)methyl]pyrimidin-5-amine is sourced from PubChem (CID 166384633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).