1-[4-(dimethylamino)pyrimidin-5-yl]-3-[3-(trifluoromethyl)cyclohexyl]urea

C14H20F3N5O — CID 75476607

IUPAC1-[4-(dimethylamino)pyrimidin-5-yl]-3-[3-(trifluoromethyl)cyclohexyl]urea
SMILESCN(C)c1ncncc1NC(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H20F3N5O/c1-22(2)12-11(7-18-8-19-12)21-13(23)20-10-5-3-4-9(6-10)14(15,16)17/h7-10H,3-6H2,1-2H3,(H2,20,21,23)
InChIKeyWTVRVOULFJRQBU-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.79
Rot. Bonds3

About 1-[4-(dimethylamino)pyrimidin-5-yl]-3-[3-(trifluoromethyl)cyclohexyl]urea

1-[4-(dimethylamino)pyrimidin-5-yl]-3-[3-(trifluoromethyl)cyclohexyl]urea (PubChem CID 75476607) has the molecular formula C14H20F3N5O and a molecular weight of 331.34 g/mol. Its IUPAC name is 1-[4-(dimethylamino)pyrimidin-5-yl]-3-[3-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)pyrimidin-5-yl]-3-[3-(trifluoromethyl)cyclohexyl]urea
PubChem CID75476607
Molecular FormulaC14H20F3N5O
Molecular Weight331.34 g/mol
Exact Mass331.16
IUPAC Name1-[4-(dimethylamino)pyrimidin-5-yl]-3-[3-(trifluoromethyl)cyclohexyl]urea
SMILESCN(C)c1ncncc1NC(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H20F3N5O/c1-22(2)12-11(7-18-8-19-12)21-13(23)20-10-5-3-4-9(6-10)14(15,16)17/h7-10H,3-6H2,1-2H3,(H2,20,21,23)
InChIKeyWTVRVOULFJRQBU-UHFFFAOYSA-N
XLogP2.79
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)pyrimidin-5-yl]-3-[3-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-[4-(dimethylamino)pyrimidin-5-yl]-3-[3-(trifluoromethyl)cyclohexyl]urea (CID 75476607) is 1-[4-(dimethylamino)pyrimidin-5-yl]-3-[3-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-[4-(dimethylamino)pyrimidin-5-yl]-3-[3-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-[4-(dimethylamino)pyrimidin-5-yl]-3-[3-(trifluoromethyl)cyclohexyl]urea is CN(C)c1ncncc1NC(=O)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-[4-(dimethylamino)pyrimidin-5-yl]-3-[3-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is WTVRVOULFJRQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N5O/c1-22(2)12-11(7-18-8-19-12)21-13(23)20-10-5-3-4-9(6-10)14(15,16)17/h7-10H,3-6H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-[4-(dimethylamino)pyrimidin-5-yl]-3-[3-(trifluoromethyl)cyclohexyl]urea?
1-[4-(dimethylamino)pyrimidin-5-yl]-3-[3-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 331.34 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)pyrimidin-5-yl]-3-[3-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 75476607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).