N-[4-(4-methylpiperazin-1-yl)butan-2-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C21H30N6 — CID 133480741

IUPACN-[4-(4-methylpiperazin-1-yl)butan-2-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCC(CCN1CCN(C)CC1)Nc1nc(-c2ccccn2)nc2c1CCC2
InChIInChI=1S/C21H30N6/c1-16(9-11-27-14-12-26(2)13-15-27)23-20-17-6-5-8-18(17)24-21(25-20)19-7-3-4-10-22-19/h3-4,7,10,16H,5-6,8-9,11-15H2,1-2H3,(H,23,24,25)
InChIKeyHDLGZZUNAKPUFC-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.47
Rot. Bonds6

About N-[4-(4-methylpiperazin-1-yl)butan-2-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-[4-(4-methylpiperazin-1-yl)butan-2-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 133480741) has the molecular formula C21H30N6 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)butan-2-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)butan-2-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID133480741
Molecular FormulaC21H30N6
Molecular Weight366.51 g/mol
Exact Mass366.25
IUPAC NameN-[4-(4-methylpiperazin-1-yl)butan-2-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCC(CCN1CCN(C)CC1)Nc1nc(-c2ccccn2)nc2c1CCC2
InChIInChI=1S/C21H30N6/c1-16(9-11-27-14-12-26(2)13-15-27)23-20-17-6-5-8-18(17)24-21(25-20)19-7-3-4-10-22-19/h3-4,7,10,16H,5-6,8-9,11-15H2,1-2H3,(H,23,24,25)
InChIKeyHDLGZZUNAKPUFC-UHFFFAOYSA-N
XLogP2.47
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)butan-2-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)butan-2-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 133480741) is N-[4-(4-methylpiperazin-1-yl)butan-2-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)butan-2-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)butan-2-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CC(CCN1CCN(C)CC1)Nc1nc(-c2ccccn2)nc2c1CCC2.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)butan-2-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is HDLGZZUNAKPUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6/c1-16(9-11-27-14-12-26(2)13-15-27)23-20-17-6-5-8-18(17)24-21(25-20)19-7-3-4-10-22-19/h3-4,7,10,16H,5-6,8-9,11-15H2,1-2H3,(H,23,24,25).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)butan-2-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-[4-(4-methylpiperazin-1-yl)butan-2-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 366.51 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)butan-2-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 133480741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).