3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide

C13H20N4O — CID 156609240

IUPAC3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide
SMILESCc1cc(C)nc(CNC(=O)C2CCC(N)C2)n1
InChIInChI=1S/C13H20N4O/c1-8-5-9(2)17-12(16-8)7-15-13(18)10-3-4-11(14)6-10/h5,10-11H,3-4,6-7,14H2,1-2H3,(H,15,18)
InChIKeyNXHUYCAADLSJEY-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.84
Rot. Bonds3

About 3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide

3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 156609240) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide
PubChem CID156609240
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide
SMILESCc1cc(C)nc(CNC(=O)C2CCC(N)C2)n1
InChIInChI=1S/C13H20N4O/c1-8-5-9(2)17-12(16-8)7-15-13(18)10-3-4-11(14)6-10/h5,10-11H,3-4,6-7,14H2,1-2H3,(H,15,18)
InChIKeyNXHUYCAADLSJEY-UHFFFAOYSA-N
XLogP0.84
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,3R)-3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 154910286
3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 66008151
3-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119755255
3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66033053
3-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 103814773
3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]cyclopentane-1-carboxamide
CID 119812807
3-amino-N-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 119698450
3-amino-N-[[4-(4-methoxyphenyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 119805976
3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide
CID 115737976
3-amino-N-(4,6-dimethylpyrimidin-2-yl)cyclohexane-1-carboxamide
CID 63043384
3-amino-N-[(4-bromo-2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119780965
acetylene;cis-(1S,3R)-3-amino-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;propane
CID 143080625

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide (CID 156609240) is 3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide is Cc1cc(C)nc(CNC(=O)C2CCC(N)C2)n1.
What is the InChIKey of 3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is NXHUYCAADLSJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-8-5-9(2)17-12(16-8)7-15-13(18)10-3-4-11(14)6-10/h5,10-11H,3-4,6-7,14H2,1-2H3,(H,15,18).
What are the key properties of 3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide?
3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 156609240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).