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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Related Compounds

methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate
CID 62831506
(2S)-2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol
CID 94878013
N-tert-butyl-2-(5,6,7,8-tetrahydroquinazolin-4-ylamino)propanamide
CID 115701936
2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpentane-1,2-diamine
CID 63760989
2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-3-methylbutanamide
CID 106347461
N-ethyl-N-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)propanamide
CID 103111262
2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 62831516
2-[(5-amino-6-propan-2-yloxypyrimidin-4-yl)amino]-3-methylbutanamide
CID 106344020
2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pentane-1,2-diamine
CID 65193301
N-[1-(4-fluorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62831336
methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)acetate
CID 62832047
N-[1-(oxan-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 103768418

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).