2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpentane-1,2-diamine

C13H22N4 — CID 63760989

IUPAC2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpentane-1,2-diamine
SMILESCC(C)CC(CN)Nc1ncnc2c1CCC2
InChIInChI=1S/C13H22N4/c1-9(2)6-10(7-14)17-13-11-4-3-5-12(11)15-8-16-13/h8-10H,3-7,14H2,1-2H3,(H,15,16,17)
InChIKeyJAIMWLKMTCWUFM-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.75
Rot. Bonds5

About 2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpentane-1,2-diamine

2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpentane-1,2-diamine (PubChem CID 63760989) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpentane-1,2-diamine
PubChem CID63760989
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpentane-1,2-diamine
SMILESCC(C)CC(CN)Nc1ncnc2c1CCC2
InChIInChI=1S/C13H22N4/c1-9(2)6-10(7-14)17-13-11-4-3-5-12(11)15-8-16-13/h8-10H,3-7,14H2,1-2H3,(H,15,16,17)
InChIKeyJAIMWLKMTCWUFM-UHFFFAOYSA-N
XLogP1.75
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpentane-1,2-diamine?
The IUPAC name of 2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpentane-1,2-diamine (CID 63760989) is 2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpentane-1,2-diamine?
The canonical SMILES for 2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpentane-1,2-diamine is CC(C)CC(CN)Nc1ncnc2c1CCC2.
What is the InChIKey of 2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpentane-1,2-diamine?
The InChIKey is JAIMWLKMTCWUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-9(2)6-10(7-14)17-13-11-4-3-5-12(11)15-8-16-13/h8-10H,3-7,14H2,1-2H3,(H,15,16,17).
What are the key properties of 2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpentane-1,2-diamine?
2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpentane-1,2-diamine has a molecular weight of 234.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpentane-1,2-diamine is sourced from PubChem (CID 63760989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).