1-(2,6-dimethylpyrimidin-4-yl)-3-propan-2-ylurea

C10H16N4O — CID 3061667

IUPAC1-(2,6-dimethylpyrimidin-4-yl)-3-propan-2-ylurea
SMILESCc1cc(NC(=O)NC(C)C)nc(C)n1
InChIInChI=1S/C10H16N4O/c1-6(2)11-10(15)14-9-5-7(3)12-8(4)13-9/h5-6H,1-4H3,(H2,11,12,13,14,15)
InChIKeyJZFDTHIBAVTMHG-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.62
Rot. Bonds2

About 1-(2,6-dimethylpyrimidin-4-yl)-3-propan-2-ylurea

1-(2,6-dimethylpyrimidin-4-yl)-3-propan-2-ylurea (PubChem CID 3061667) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(2,6-dimethylpyrimidin-4-yl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(2,6-dimethylpyrimidin-4-yl)-3-propan-2-ylurea
PubChem CID3061667
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-(2,6-dimethylpyrimidin-4-yl)-3-propan-2-ylurea
SMILESCc1cc(NC(=O)NC(C)C)nc(C)n1
InChIInChI=1S/C10H16N4O/c1-6(2)11-10(15)14-9-5-7(3)12-8(4)13-9/h5-6H,1-4H3,(H2,11,12,13,14,15)
InChIKeyJZFDTHIBAVTMHG-UHFFFAOYSA-N
XLogP1.62
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-Dimethyl-4-aminopyrimidine
CID 68039
2,4-Dimethyl-6-(piperazin-1-yl)pyrimidine
CID 4778269
3-(4-(4-(2-Tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-1,1-diethylurea
CID 44409731
4-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24994945
2-N,4-N-dicyclohexyl-6-methylpyrimidine-2,4-diamine
CID 46225979
2-chloro-N-ethyl-6-methylpyrimidin-4-amine
CID 312603
1-Tert-butyl-3-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)urea
CID 44409890
1-(4-(4-(2-Tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-3-neopentylurea
CID 44409891
2-N-cyclohexyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 46225981
2-N-heptyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 46225986
4-N-cyclohexyl-2-N-heptyl-6-methylpyrimidine-2,4-diamine
CID 46225998
4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 46226008

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-3-propan-2-ylurea?
The IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-3-propan-2-ylurea (CID 3061667) is 1-(2,6-dimethylpyrimidin-4-yl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(2,6-dimethylpyrimidin-4-yl)-3-propan-2-ylurea?
The canonical SMILES for 1-(2,6-dimethylpyrimidin-4-yl)-3-propan-2-ylurea is Cc1cc(NC(=O)NC(C)C)nc(C)n1.
What is the InChIKey of 1-(2,6-dimethylpyrimidin-4-yl)-3-propan-2-ylurea?
The InChIKey is JZFDTHIBAVTMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-6(2)11-10(15)14-9-5-7(3)12-8(4)13-9/h5-6H,1-4H3,(H2,11,12,13,14,15).
What are the key properties of 1-(2,6-dimethylpyrimidin-4-yl)-3-propan-2-ylurea?
1-(2,6-dimethylpyrimidin-4-yl)-3-propan-2-ylurea has a molecular weight of 208.26 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpyrimidin-4-yl)-3-propan-2-ylurea is sourced from PubChem (CID 3061667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).