(3S)-3-cyclohexyl-3-[(4-methoxypyrimidin-2-yl)amino]propanamide

C14H22N4O2 — CID 97327723

IUPAC(3S)-3-cyclohexyl-3-[(4-methoxypyrimidin-2-yl)amino]propanamide
SMILESCOc1ccnc(N[C@@H](CC(N)=O)C2CCCCC2)n1
InChIInChI=1S/C14H22N4O2/c1-20-13-7-8-16-14(18-13)17-11(9-12(15)19)10-5-3-2-4-6-10/h7-8,10-11H,2-6,9H2,1H3,(H2,15,19)(H,16,17,18)/t11-/m0/s1
InChIKeySJDUAEOQUMIWOI-NSHDSACASA-N
MW278.36 g/mol
LogP1.72
Rot. Bonds6

About (3S)-3-cyclohexyl-3-[(4-methoxypyrimidin-2-yl)amino]propanamide

(3S)-3-cyclohexyl-3-[(4-methoxypyrimidin-2-yl)amino]propanamide (PubChem CID 97327723) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is (3S)-3-cyclohexyl-3-[(4-methoxypyrimidin-2-yl)amino]propanamide.

Molecular Properties

Compound Name(3S)-3-cyclohexyl-3-[(4-methoxypyrimidin-2-yl)amino]propanamide
PubChem CID97327723
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name(3S)-3-cyclohexyl-3-[(4-methoxypyrimidin-2-yl)amino]propanamide
SMILESCOc1ccnc(N[C@@H](CC(N)=O)C2CCCCC2)n1
InChIInChI=1S/C14H22N4O2/c1-20-13-7-8-16-14(18-13)17-11(9-12(15)19)10-5-3-2-4-6-10/h7-8,10-11H,2-6,9H2,1H3,(H2,15,19)(H,16,17,18)/t11-/m0/s1
InChIKeySJDUAEOQUMIWOI-NSHDSACASA-N
XLogP1.72
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 32114116
2-[(4-Methoxypyrimidin-2-yl)amino]-3-methylbutanamide
CID 75432940
cyclopentyl-[(3S)-3-[(4-methoxypyrimidin-2-yl)amino]azepan-1-yl]methanone
CID 96571256
(1S,6S)-6-[(4-ethoxypyrimidin-2-yl)amino]cyclohex-3-ene-1-carboxamide
CID 164629716
(2S)-3-[(4-methoxypyrimidin-2-yl)-methylamino]-N,2-dimethylpropanamide
CID 164637724
1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 32173855
N'-(4-methoxypyrimidin-2-yl)-2-(trifluoromethyl)cyclohexane-1-carbohydrazide
CID 56797956
N'-(4-methoxypyrimidin-2-yl)-3-(trifluoromethyl)cyclohexane-1-carbohydrazide
CID 60509459
1-(4-methoxypyrimidin-2-yl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
CID 86926097
cis-(1R,2S)-N'-(4-methoxypyrimidin-2-yl)-2-(trifluoromethyl)cyclohexane-1-carbohydrazide
CID 94658152
trans-(1S,2S)-N'-(4-methoxypyrimidin-2-yl)-2-(trifluoromethyl)cyclohexane-1-carbohydrazide
CID 94658153
trans-(1R,2R)-N'-(4-methoxypyrimidin-2-yl)-2-(trifluoromethyl)cyclohexane-1-carbohydrazide
CID 94658154

Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclohexyl-3-[(4-methoxypyrimidin-2-yl)amino]propanamide?
The IUPAC name of (3S)-3-cyclohexyl-3-[(4-methoxypyrimidin-2-yl)amino]propanamide (CID 97327723) is (3S)-3-cyclohexyl-3-[(4-methoxypyrimidin-2-yl)amino]propanamide.
What is the SMILES notation for (3S)-3-cyclohexyl-3-[(4-methoxypyrimidin-2-yl)amino]propanamide?
The canonical SMILES for (3S)-3-cyclohexyl-3-[(4-methoxypyrimidin-2-yl)amino]propanamide is COc1ccnc(N[C@@H](CC(N)=O)C2CCCCC2)n1.
What is the InChIKey of (3S)-3-cyclohexyl-3-[(4-methoxypyrimidin-2-yl)amino]propanamide?
The InChIKey is SJDUAEOQUMIWOI-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4O2/c1-20-13-7-8-16-14(18-13)17-11(9-12(15)19)10-5-3-2-4-6-10/h7-8,10-11H,2-6,9H2,1H3,(H2,15,19)(H,16,17,18)/t11-/m0/s1.
What are the key properties of (3S)-3-cyclohexyl-3-[(4-methoxypyrimidin-2-yl)amino]propanamide?
(3S)-3-cyclohexyl-3-[(4-methoxypyrimidin-2-yl)amino]propanamide has a molecular weight of 278.36 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyclohexyl-3-[(4-methoxypyrimidin-2-yl)amino]propanamide is sourced from PubChem (CID 97327723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).