N-[(1R,2R)-2-fluorocyclohexyl]-2-methyl-N-(oxolan-3-yl)pyrimidin-4-amine

C15H22FN3O — CID 126856166

IUPACN-[(1R,2R)-2-fluorocyclohexyl]-2-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
SMILESCc1nccc(N(C2CCOC2)[C@@H]2CCCC[C@H]2F)n1
InChIInChI=1S/C15H22FN3O/c1-11-17-8-6-15(18-11)19(12-7-9-20-10-12)14-5-3-2-4-13(14)16/h6,8,12-14H,2-5,7,9-10H2,1H3/t12?,13-,14-/m1/s1
InChIKeyCTAARMORWYNOQW-ILMHWDKJSA-N
MW279.36 g/mol
LogP2.66
Rot. Bonds3

About N-[(1R,2R)-2-fluorocyclohexyl]-2-methyl-N-(oxolan-3-yl)pyrimidin-4-amine

N-[(1R,2R)-2-fluorocyclohexyl]-2-methyl-N-(oxolan-3-yl)pyrimidin-4-amine (PubChem CID 126856166) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[(1R,2R)-2-fluorocyclohexyl]-2-methyl-N-(oxolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R,2R)-2-fluorocyclohexyl]-2-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
PubChem CID126856166
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC NameN-[(1R,2R)-2-fluorocyclohexyl]-2-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
SMILESCc1nccc(N(C2CCOC2)[C@@H]2CCCC[C@H]2F)n1
InChIInChI=1S/C15H22FN3O/c1-11-17-8-6-15(18-11)19(12-7-9-20-10-12)14-5-3-2-4-13(14)16/h6,8,12-14H,2-5,7,9-10H2,1H3/t12?,13-,14-/m1/s1
InChIKeyCTAARMORWYNOQW-ILMHWDKJSA-N
XLogP2.66
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-fluorocyclohexyl]-2-methyl-N-(oxolan-3-yl)pyrimidin-4-amine?
The IUPAC name of N-[(1R,2R)-2-fluorocyclohexyl]-2-methyl-N-(oxolan-3-yl)pyrimidin-4-amine (CID 126856166) is N-[(1R,2R)-2-fluorocyclohexyl]-2-methyl-N-(oxolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[(1R,2R)-2-fluorocyclohexyl]-2-methyl-N-(oxolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-[(1R,2R)-2-fluorocyclohexyl]-2-methyl-N-(oxolan-3-yl)pyrimidin-4-amine is Cc1nccc(N(C2CCOC2)[C@@H]2CCCC[C@H]2F)n1.
What is the InChIKey of N-[(1R,2R)-2-fluorocyclohexyl]-2-methyl-N-(oxolan-3-yl)pyrimidin-4-amine?
The InChIKey is CTAARMORWYNOQW-ILMHWDKJSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-11-17-8-6-15(18-11)19(12-7-9-20-10-12)14-5-3-2-4-13(14)16/h6,8,12-14H,2-5,7,9-10H2,1H3/t12?,13-,14-/m1/s1.
What are the key properties of N-[(1R,2R)-2-fluorocyclohexyl]-2-methyl-N-(oxolan-3-yl)pyrimidin-4-amine?
N-[(1R,2R)-2-fluorocyclohexyl]-2-methyl-N-(oxolan-3-yl)pyrimidin-4-amine has a molecular weight of 279.36 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-fluorocyclohexyl]-2-methyl-N-(oxolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 126856166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).