2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-3-methylbutanamide

C12H18N4O — CID 103850263

IUPAC2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-3-methylbutanamide
SMILESCC(C)C(Nc1ncnc2c1CCC2)C(N)=O
InChIInChI=1S/C12H18N4O/c1-7(2)10(11(13)17)16-12-8-4-3-5-9(8)14-6-15-12/h6-7,10H,3-5H2,1-2H3,(H2,13,17)(H,14,15,16)
InChIKeyNOMPEUNARVNYMF-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.89
Rot. Bonds4

About 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-3-methylbutanamide

2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-3-methylbutanamide (PubChem CID 103850263) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-3-methylbutanamide.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-3-methylbutanamide
PubChem CID103850263
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-3-methylbutanamide
SMILESCC(C)C(Nc1ncnc2c1CCC2)C(N)=O
InChIInChI=1S/C12H18N4O/c1-7(2)10(11(13)17)16-12-8-4-3-5-9(8)14-6-15-12/h6-7,10H,3-5H2,1-2H3,(H2,13,17)(H,14,15,16)
InChIKeyNOMPEUNARVNYMF-UHFFFAOYSA-N
XLogP0.89
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-3-methylbutanamide?
The IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-3-methylbutanamide (CID 103850263) is 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-3-methylbutanamide.
What is the SMILES notation for 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-3-methylbutanamide?
The canonical SMILES for 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-3-methylbutanamide is CC(C)C(Nc1ncnc2c1CCC2)C(N)=O.
What is the InChIKey of 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-3-methylbutanamide?
The InChIKey is NOMPEUNARVNYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-7(2)10(11(13)17)16-12-8-4-3-5-9(8)14-6-15-12/h6-7,10H,3-5H2,1-2H3,(H2,13,17)(H,14,15,16).
What are the key properties of 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-3-methylbutanamide?
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-3-methylbutanamide has a molecular weight of 234.30 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-3-methylbutanamide is sourced from PubChem (CID 103850263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).