2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine

C13H22N4 — CID 113284029

IUPAC2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine
SMILESCC(C)C(C)(CN)Nc1ncnc2c1CCC2
InChIInChI=1S/C13H22N4/c1-9(2)13(3,7-14)17-12-10-5-4-6-11(10)15-8-16-12/h8-9H,4-7,14H2,1-3H3,(H,15,16,17)
InChIKeyKFGAVUHPELLXMT-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.75
Rot. Bonds4

About 2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine

2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine (PubChem CID 113284029) 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)-2,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine
PubChem CID113284029
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine
SMILESCC(C)C(C)(CN)Nc1ncnc2c1CCC2
InChIInChI=1S/C13H22N4/c1-9(2)13(3,7-14)17-12-10-5-4-6-11(10)15-8-16-12/h8-9H,4-7,14H2,1-3H3,(H,15,16,17)
InChIKeyKFGAVUHPELLXMT-UHFFFAOYSA-N
XLogP1.75
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

2-phenyl-2-N-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,2-diamine
CID 105060634
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2,3-dimethylbutan-2-ol
CID 106185428
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-(hydroxymethyl)propane-1,3-diol
CID 114008881
N-(3-methylpentan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 114174318
2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpentane-1,2-diamine
CID 63760989
1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-methylpropan-2-ol
CID 63777387
(2S)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol
CID 94878013
2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 62831516
2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)butane-1,4-diamine
CID 106142476
N-hexyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63184554
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylpropan-1-ol
CID 105058534
N-[2-(1,3-thiazol-2-yl)propan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 114131288

Frequently Asked Questions

What is the IUPAC name of 2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine?
The IUPAC name of 2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine (CID 113284029) is 2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine is CC(C)C(C)(CN)Nc1ncnc2c1CCC2.
What is the InChIKey of 2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine?
The InChIKey is KFGAVUHPELLXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-9(2)13(3,7-14)17-12-10-5-4-6-11(10)15-8-16-12/h8-9H,4-7,14H2,1-3H3,(H,15,16,17).
What are the key properties of 2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine?
2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine has a molecular weight of 234.35 g/mol, XLogP of 1.75, 4 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)-2,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 113284029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).