5,6-dimethyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-2-pyrrolidin-1-ylpyrimidin-4-amine

C21H36N6 — CID 134697653

IUPAC5,6-dimethyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1nc(N2CCCC2)nc(NCC2(N3CCN(C)CC3)CCCC2)c1C
InChIInChI=1S/C21H36N6/c1-17-18(2)23-20(26-10-6-7-11-26)24-19(17)22-16-21(8-4-5-9-21)27-14-12-25(3)13-15-27/h4-16H2,1-3H3,(H,22,23,24)
InChIKeyBZXMLNBPOINQBB-UHFFFAOYSA-N
MW372.56 g/mol
LogP2.67
Rot. Bonds5

About 5,6-dimethyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-2-pyrrolidin-1-ylpyrimidin-4-amine

5,6-dimethyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-2-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 134697653) has the molecular formula C21H36N6 and a molecular weight of 372.56 g/mol. Its IUPAC name is 5,6-dimethyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-2-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-2-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID134697653
Molecular FormulaC21H36N6
Molecular Weight372.56 g/mol
Exact Mass372.30
IUPAC Name5,6-dimethyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1nc(N2CCCC2)nc(NCC2(N3CCN(C)CC3)CCCC2)c1C
InChIInChI=1S/C21H36N6/c1-17-18(2)23-20(26-10-6-7-11-26)24-19(17)22-16-21(8-4-5-9-21)27-14-12-25(3)13-15-27/h4-16H2,1-3H3,(H,22,23,24)
InChIKeyBZXMLNBPOINQBB-UHFFFAOYSA-N
XLogP2.67
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-2-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-2-pyrrolidin-1-ylpyrimidin-4-amine (CID 134697653) is 5,6-dimethyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-2-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-2-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-2-pyrrolidin-1-ylpyrimidin-4-amine is Cc1nc(N2CCCC2)nc(NCC2(N3CCN(C)CC3)CCCC2)c1C.
What is the InChIKey of 5,6-dimethyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-2-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is BZXMLNBPOINQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N6/c1-17-18(2)23-20(26-10-6-7-11-26)24-19(17)22-16-21(8-4-5-9-21)27-14-12-25(3)13-15-27/h4-16H2,1-3H3,(H,22,23,24).
What are the key properties of 5,6-dimethyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-2-pyrrolidin-1-ylpyrimidin-4-amine?
5,6-dimethyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-2-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 372.56 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-2-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 134697653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).