cis-(1S,3R)-3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride

C13H21ClN4O — CID 154910286

IUPACcis-(1S,3R)-3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCc1cc(C)nc(CNC(=O)[C@H]2CC[C@@H](N)C2)n1.Cl
InChIInChI=1S/C13H20N4O.ClH/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);1H/t10-,11+;/m0./s1
InChIKeyFDNGLJQPYNYTKF-VZXYPILPSA-N
MW284.79 g/mol
LogP1.26
Rot. Bonds3

About cis-(1S,3R)-3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride

cis-(1S,3R)-3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 154910286) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is cis-(1S,3R)-3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Namecis-(1S,3R)-3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID154910286
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Namecis-(1S,3R)-3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCc1cc(C)nc(CNC(=O)[C@H]2CC[C@@H](N)C2)n1.Cl
InChIInChI=1S/C13H20N4O.ClH/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);1H/t10-,11+;/m0./s1
InChIKeyFDNGLJQPYNYTKF-VZXYPILPSA-N
XLogP1.26
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1S,3R)-3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide
CID 156609240
3-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119755255
3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 66008151
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-[(4-bromo-2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119780965
3-amino-N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]cyclopentane-1-carboxamide
CID 119812807
3-amino-N-[(2-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119727673
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-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119675799

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of cis-(1S,3R)-3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride (CID 154910286) is cis-(1S,3R)-3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for cis-(1S,3R)-3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for cis-(1S,3R)-3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride is Cc1cc(C)nc(CNC(=O)[C@H]2CC[C@@H](N)C2)n1.Cl.
What is the InChIKey of cis-(1S,3R)-3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is FDNGLJQPYNYTKF-VZXYPILPSA-N. The full InChI is InChI=1S/C13H20N4O.ClH/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);1H/t10-,11+;/m0./s1.
What are the key properties of cis-(1S,3R)-3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride?
cis-(1S,3R)-3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 154910286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).