1-cyclohexyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]urea

C13H21N5O — CID 2350131

IUPAC1-cyclohexyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]urea
SMILESCc1cc(C)nc(NNC(=O)NC2CCCCC2)n1
InChIInChI=1S/C13H21N5O/c1-9-8-10(2)15-12(14-9)17-18-13(19)16-11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,14,15,17)(H2,16,18,19)
InChIKeyUYVWDVICGFSYIS-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.05
Rot. Bonds3

About 1-cyclohexyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]urea

1-cyclohexyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]urea (PubChem CID 2350131) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]urea
PubChem CID2350131
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name1-cyclohexyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]urea
SMILESCc1cc(C)nc(NNC(=O)NC2CCCCC2)n1
InChIInChI=1S/C13H21N5O/c1-9-8-10(2)15-12(14-9)17-18-13(19)16-11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,14,15,17)(H2,16,18,19)
InChIKeyUYVWDVICGFSYIS-UHFFFAOYSA-N
XLogP2.05
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2-[(4,6-dimethyl-2-pyrimidinyl)amino]-4,5-dihydro-1H-imidazole-1-carboxamide
CID 938501
N-Cyclohexyl-N'-(4,6-dimethyl-pyrimidin-2-yl)-guanidine
CID 579759
N'-(4,6-dimethylpyrimidin-2-yl)acetohydrazide
CID 685250
Cambridge id 7356404
CID 2936557
1-Cyclohexyl-3-(4,6-dimethylpyrimidin-2-yl)-1-methylguanidine
CID 5890213
1-[1-(4,6-Dimethylpyrimidin-2-yl)piperidin-4-yl]-3-propylurea
CID 45106456
N-cyclohexyl-N-(4,6-dimethyl-2-pyrimidinyl)amine
CID 734464
(3S)-3-[(4,6-dimethylpyrimidin-2-yl)amino]piperidine-1-carboxamide
CID 97351850
5-{2-[(2-methyl-6-propylpyrimidin-4-yl)amino]ethyl}-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 136014753
guanidine, N-cyclohexyl-N'-(4,6-dimethyl-2-pyrimidinyl)-N-methyl-
CID 5737484
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-ethyl-4,5-dihydro-1H-imidazole-1-carboxamide
CID 6463113
1-[2-[[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-3-propan-2-ylurea
CID 136573651

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]urea?
The IUPAC name of 1-cyclohexyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]urea (CID 2350131) is 1-cyclohexyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]urea?
The canonical SMILES for 1-cyclohexyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]urea is Cc1cc(C)nc(NNC(=O)NC2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]urea?
The InChIKey is UYVWDVICGFSYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-9-8-10(2)15-12(14-9)17-18-13(19)16-11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,14,15,17)(H2,16,18,19).
What are the key properties of 1-cyclohexyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]urea?
1-cyclohexyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]urea has a molecular weight of 263.34 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]urea is sourced from PubChem (CID 2350131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).