N-(cyclopropylmethyl)-7-(2,4-dimethylphenyl)-2-methyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C23H31N3 — CID 58866049

IUPACN-(cyclopropylmethyl)-7-(2,4-dimethylphenyl)-2-methyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCCN(CC1CC1)c1nc(C)nc2c1CCC2c1ccc(C)cc1C
InChIInChI=1S/C23H31N3/c1-5-12-26(14-18-7-8-18)23-21-11-10-20(22(21)24-17(4)25-23)19-9-6-15(2)13-16(19)3/h6,9,13,18,20H,5,7-8,10-12,14H2,1-4H3
InChIKeyPBCDJNBLZKLARR-UHFFFAOYSA-N
MW349.52 g/mol
LogP5.11
Rot. Bonds6

About N-(cyclopropylmethyl)-7-(2,4-dimethylphenyl)-2-methyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-(cyclopropylmethyl)-7-(2,4-dimethylphenyl)-2-methyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 58866049) has the molecular formula C23H31N3 and a molecular weight of 349.52 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-7-(2,4-dimethylphenyl)-2-methyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-7-(2,4-dimethylphenyl)-2-methyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID58866049
Molecular FormulaC23H31N3
Molecular Weight349.52 g/mol
Exact Mass349.25
IUPAC NameN-(cyclopropylmethyl)-7-(2,4-dimethylphenyl)-2-methyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCCN(CC1CC1)c1nc(C)nc2c1CCC2c1ccc(C)cc1C
InChIInChI=1S/C23H31N3/c1-5-12-26(14-18-7-8-18)23-21-11-10-20(22(21)24-17(4)25-23)19-9-6-15(2)13-16(19)3/h6,9,13,18,20H,5,7-8,10-12,14H2,1-4H3
InChIKeyPBCDJNBLZKLARR-UHFFFAOYSA-N
XLogP5.11
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-7-(2,4-dimethylphenyl)-2-methyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-7-(2,4-dimethylphenyl)-2-methyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 58866049) is N-(cyclopropylmethyl)-7-(2,4-dimethylphenyl)-2-methyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-7-(2,4-dimethylphenyl)-2-methyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-7-(2,4-dimethylphenyl)-2-methyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CCCN(CC1CC1)c1nc(C)nc2c1CCC2c1ccc(C)cc1C.
What is the InChIKey of N-(cyclopropylmethyl)-7-(2,4-dimethylphenyl)-2-methyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is PBCDJNBLZKLARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3/c1-5-12-26(14-18-7-8-18)23-21-11-10-20(22(21)24-17(4)25-23)19-9-6-15(2)13-16(19)3/h6,9,13,18,20H,5,7-8,10-12,14H2,1-4H3.
What are the key properties of N-(cyclopropylmethyl)-7-(2,4-dimethylphenyl)-2-methyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-(cyclopropylmethyl)-7-(2,4-dimethylphenyl)-2-methyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 349.52 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-7-(2,4-dimethylphenyl)-2-methyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 58866049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).