4-[(3,3-difluorocyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide

C15H21F2N5O2 — CID 71237418

IUPAC4-[(3,3-difluorocyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NC2CCC(O)CC2)nc1NC1CC(F)(F)C1
InChIInChI=1S/C15H21F2N5O2/c16-15(17)5-9(6-15)20-13-11(12(18)24)7-19-14(22-13)21-8-1-3-10(23)4-2-8/h7-10,23H,1-6H2,(H2,18,24)(H2,19,20,21,22)
InChIKeyZFYQNKVMWFASAR-UHFFFAOYSA-N
MW341.36 g/mol
LogP1.50
Rot. Bonds5

About 4-[(3,3-difluorocyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide

4-[(3,3-difluorocyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide (PubChem CID 71237418) has the molecular formula C15H21F2N5O2 and a molecular weight of 341.36 g/mol. Its IUPAC name is 4-[(3,3-difluorocyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[(3,3-difluorocyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
PubChem CID71237418
Molecular FormulaC15H21F2N5O2
Molecular Weight341.36 g/mol
Exact Mass341.17
IUPAC Name4-[(3,3-difluorocyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NC2CCC(O)CC2)nc1NC1CC(F)(F)C1
InChIInChI=1S/C15H21F2N5O2/c16-15(17)5-9(6-15)20-13-11(12(18)24)7-19-14(22-13)21-8-1-3-10(23)4-2-8/h7-10,23H,1-6H2,(H2,18,24)(H2,19,20,21,22)
InChIKeyZFYQNKVMWFASAR-UHFFFAOYSA-N
XLogP1.50
TPSA113.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-difluorocyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-[(3,3-difluorocyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide (CID 71237418) is 4-[(3,3-difluorocyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[(3,3-difluorocyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-[(3,3-difluorocyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide is NC(=O)c1cnc(NC2CCC(O)CC2)nc1NC1CC(F)(F)C1.
What is the InChIKey of 4-[(3,3-difluorocyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
The InChIKey is ZFYQNKVMWFASAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N5O2/c16-15(17)5-9(6-15)20-13-11(12(18)24)7-19-14(22-13)21-8-1-3-10(23)4-2-8/h7-10,23H,1-6H2,(H2,18,24)(H2,19,20,21,22).
What are the key properties of 4-[(3,3-difluorocyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
4-[(3,3-difluorocyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide has a molecular weight of 341.36 g/mol, XLogP of 1.50, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-difluorocyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 71237418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).