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

C14H23ClN4O2 — CID 155940256

IUPAC(1S,3R,4R)-3-amino-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;hydrochloride
SMILESCc1cc(C)nc(CCNC(=O)[C@H]2C[C@@H](N)[C@H](O)C2)n1.Cl
InChIInChI=1S/C14H22N4O2.ClH/c1-8-5-9(2)18-13(17-8)3-4-16-14(20)10-6-11(15)12(19)7-10;/h5,10-12,19H,3-4,6-7,15H2,1-2H3,(H,16,20);1H/t10-,11+,12+;/m0./s1
InChIKeyBKFGGIMUKBMCNQ-YBWCDFGXSA-N
MW314.82 g/mol
LogP0.27
Rot. Bonds4

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

(1S,3R,4R)-3-amino-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;hydrochloride (PubChem CID 155940256) has the molecular formula C14H23ClN4O2 and a molecular weight of 314.82 g/mol. Its IUPAC name is (1S,3R,4R)-3-amino-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name(1S,3R,4R)-3-amino-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;hydrochloride
PubChem CID155940256
Molecular FormulaC14H23ClN4O2
Molecular Weight314.82 g/mol
Exact Mass314.15
IUPAC Name(1S,3R,4R)-3-amino-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;hydrochloride
SMILESCc1cc(C)nc(CCNC(=O)[C@H]2C[C@@H](N)[C@H](O)C2)n1.Cl
InChIInChI=1S/C14H22N4O2.ClH/c1-8-5-9(2)18-13(17-8)3-4-16-14(20)10-6-11(15)12(19)7-10;/h5,10-12,19H,3-4,6-7,15H2,1-2H3,(H,16,20);1H/t10-,11+,12+;/m0./s1
InChIKeyBKFGGIMUKBMCNQ-YBWCDFGXSA-N
XLogP0.27
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,3R,4R)-3-amino-4-hydroxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 155938503
(1S,3R,4R)-3-amino-N-[2-(4-fluorophenyl)ethyl]-4-hydroxycyclopentane-1-carboxamide
CID 155494382
cis-(1S,3R)-3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 154910286
(1S,3S,4S)-3-amino-4-hydroxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 163334504
(1S,3R,4R)-3-amino-4-hydroxy-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 155937997
(1S,3S,4S)-3-amino-4-hydroxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxamide
CID 154820587
3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide
CID 156609240
(1S,3S,4S)-3-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-hydroxycyclopentane-1-carboxamide
CID 155503945
(1S,3R,4R)-3-amino-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide
CID 155498993
(1S,3R,4R)-3-amino-4-hydroxy-N-(3-pyridin-2-ylpropyl)cyclopentane-1-carboxamide
CID 155501002
(1S,3S,4S)-3-amino-4-hydroxy-N-[2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 163333429
(4aR,6S,8aR)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine-6-carboxamide;hydrochloride
CID 163333468

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-3-amino-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of (1S,3R,4R)-3-amino-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;hydrochloride (CID 155940256) is (1S,3R,4R)-3-amino-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for (1S,3R,4R)-3-amino-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for (1S,3R,4R)-3-amino-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;hydrochloride is Cc1cc(C)nc(CCNC(=O)[C@H]2C[C@@H](N)[C@H](O)C2)n1.Cl.
What is the InChIKey of (1S,3R,4R)-3-amino-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;hydrochloride?
The InChIKey is BKFGGIMUKBMCNQ-YBWCDFGXSA-N. The full InChI is InChI=1S/C14H22N4O2.ClH/c1-8-5-9(2)18-13(17-8)3-4-16-14(20)10-6-11(15)12(19)7-10;/h5,10-12,19H,3-4,6-7,15H2,1-2H3,(H,16,20);1H/t10-,11+,12+;/m0./s1.
What are the key properties of (1S,3R,4R)-3-amino-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;hydrochloride?
(1S,3R,4R)-3-amino-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;hydrochloride has a molecular weight of 314.82 g/mol, XLogP of 0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-3-amino-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 155940256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).