6-(3-aminocyclobutyl)-4-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]pyrimidine-2,4-diamine

C19H33N7 — CID 91763674

IUPAC6-(3-aminocyclobutyl)-4-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]pyrimidine-2,4-diamine
SMILESCN1CCN(C2(CNc3cc(C4CC(N)C4)nc(N)n3)CCCC2)CC1
InChIInChI=1S/C19H33N7/c1-25-6-8-26(9-7-25)19(4-2-3-5-19)13-22-17-12-16(23-18(21)24-17)14-10-15(20)11-14/h12,14-15H,2-11,13,20H2,1H3,(H3,21,22,23,24)
InChIKeyXHXQJABRMQEXHY-UHFFFAOYSA-N
MW359.52 g/mol
LogP1.24
Rot. Bonds5

About 6-(3-aminocyclobutyl)-4-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]pyrimidine-2,4-diamine

6-(3-aminocyclobutyl)-4-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]pyrimidine-2,4-diamine (PubChem CID 91763674) has the molecular formula C19H33N7 and a molecular weight of 359.52 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-4-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-4-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]pyrimidine-2,4-diamine
PubChem CID91763674
Molecular FormulaC19H33N7
Molecular Weight359.52 g/mol
Exact Mass359.28
IUPAC Name6-(3-aminocyclobutyl)-4-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]pyrimidine-2,4-diamine
SMILESCN1CCN(C2(CNc3cc(C4CC(N)C4)nc(N)n3)CCCC2)CC1
InChIInChI=1S/C19H33N7/c1-25-6-8-26(9-7-25)19(4-2-3-5-19)13-22-17-12-16(23-18(21)24-17)14-10-15(20)11-14/h12,14-15H,2-11,13,20H2,1H3,(H3,21,22,23,24)
InChIKeyXHXQJABRMQEXHY-UHFFFAOYSA-N
XLogP1.24
TPSA96.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-4-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-(3-aminocyclobutyl)-4-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]pyrimidine-2,4-diamine (CID 91763674) is 6-(3-aminocyclobutyl)-4-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-4-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-aminocyclobutyl)-4-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]pyrimidine-2,4-diamine is CN1CCN(C2(CNc3cc(C4CC(N)C4)nc(N)n3)CCCC2)CC1.
What is the InChIKey of 6-(3-aminocyclobutyl)-4-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is XHXQJABRMQEXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N7/c1-25-6-8-26(9-7-25)19(4-2-3-5-19)13-22-17-12-16(23-18(21)24-17)14-10-15(20)11-14/h12,14-15H,2-11,13,20H2,1H3,(H3,21,22,23,24).
What are the key properties of 6-(3-aminocyclobutyl)-4-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]pyrimidine-2,4-diamine?
6-(3-aminocyclobutyl)-4-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 359.52 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-4-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 91763674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).