N,N-dimethyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine

C18H25N7 — CID 155981005

IUPACN,N-dimethyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
SMILESCc1nc2c(c(N3CCN(c4cc(N(C)C)ncn4)CC3)n1)CCC2
InChIInChI=1S/C18H25N7/c1-13-21-15-6-4-5-14(15)18(22-13)25-9-7-24(8-10-25)17-11-16(23(2)3)19-12-20-17/h11-12H,4-10H2,1-3H3
InChIKeyHSGXQGKDHMMPLS-UHFFFAOYSA-N
MW339.45 g/mol
LogP1.46
Rot. Bonds3

About N,N-dimethyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine

N,N-dimethyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 155981005) has the molecular formula C18H25N7 and a molecular weight of 339.45 g/mol. Its IUPAC name is N,N-dimethyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID155981005
Molecular FormulaC18H25N7
Molecular Weight339.45 g/mol
Exact Mass339.22
IUPAC NameN,N-dimethyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
SMILESCc1nc2c(c(N3CCN(c4cc(N(C)C)ncn4)CC3)n1)CCC2
InChIInChI=1S/C18H25N7/c1-13-21-15-6-4-5-14(15)18(22-13)25-9-7-24(8-10-25)17-11-16(23(2)3)19-12-20-17/h11-12H,4-10H2,1-3H3
InChIKeyHSGXQGKDHMMPLS-UHFFFAOYSA-N
XLogP1.46
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine (CID 155981005) is N,N-dimethyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine is Cc1nc2c(c(N3CCN(c4cc(N(C)C)ncn4)CC3)n1)CCC2.
What is the InChIKey of N,N-dimethyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is HSGXQGKDHMMPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7/c1-13-21-15-6-4-5-14(15)18(22-13)25-9-7-24(8-10-25)17-11-16(23(2)3)19-12-20-17/h11-12H,4-10H2,1-3H3.
What are the key properties of N,N-dimethyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine?
N,N-dimethyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 339.45 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 155981005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).