1-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea

C21H30N6O — CID 154483881

IUPAC1-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea
SMILESCC(NC(=O)NC1CCC(Nc2nccc(N(C)C)n2)CC1)c1ccccc1
InChIInChI=1S/C21H30N6O/c1-15(16-7-5-4-6-8-16)23-21(28)25-18-11-9-17(10-12-18)24-20-22-14-13-19(26-20)27(2)3/h4-8,13-15,17-18H,9-12H2,1-3H3,(H,22,24,26)(H2,23,25,28)
InChIKeyMXZJCOYPIHECSI-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.33
Rot. Bonds6

About 1-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea

1-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea (PubChem CID 154483881) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea
PubChem CID154483881
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name1-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea
SMILESCC(NC(=O)NC1CCC(Nc2nccc(N(C)C)n2)CC1)c1ccccc1
InChIInChI=1S/C21H30N6O/c1-15(16-7-5-4-6-8-16)23-21(28)25-18-11-9-17(10-12-18)24-20-22-14-13-19(26-20)27(2)3/h4-8,13-15,17-18H,9-12H2,1-3H3,(H,22,24,26)(H2,23,25,28)
InChIKeyMXZJCOYPIHECSI-UHFFFAOYSA-N
XLogP3.33
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea with MolForge

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Related Compounds

1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486
1-[4-[[4-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea
CID 23027071
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
2-(difluoromethylsulfanyl)-N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]benzamide
CID 23027732
1-(2,4-dibromophenyl)-3-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]urea
CID 23027871
3,4-dichloro-N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]benzamide
CID 23026777
1-cyclopropyl-3-(1-pyridin-4-ylethyl)urea
CID 115575131
2-(2-chloro-4-fluorophenyl)-N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]acetamide
CID 23026769
1-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3-(2-phenylphenyl)thiourea
CID 23027375
[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-(2-phenylmethoxyethyl)carbamic acid
CID 23027884
N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3,4-difluorobenzamide;hydrochloride
CID 23027394
2-bromo-N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-5-methoxybenzamide
CID 23027493

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea?
The IUPAC name of 1-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea (CID 154483881) is 1-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea?
The canonical SMILES for 1-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea is CC(NC(=O)NC1CCC(Nc2nccc(N(C)C)n2)CC1)c1ccccc1.
What is the InChIKey of 1-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea?
The InChIKey is MXZJCOYPIHECSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-15(16-7-5-4-6-8-16)23-21(28)25-18-11-9-17(10-12-18)24-20-22-14-13-19(26-20)27(2)3/h4-8,13-15,17-18H,9-12H2,1-3H3,(H,22,24,26)(H2,23,25,28).
What are the key properties of 1-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea?
1-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea has a molecular weight of 382.51 g/mol, XLogP of 3.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-3-(1-phenylethyl)urea is sourced from PubChem (CID 154483881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).