6-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine

C11H16FN3O — CID 115417006

IUPAC6-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine
SMILESCN(CC1CCCOC1)c1cc(F)ncn1
InChIInChI=1S/C11H16FN3O/c1-15(6-9-3-2-4-16-7-9)11-5-10(12)13-8-14-11/h5,8-9H,2-4,6-7H2,1H3
InChIKeyAWISSEFFBFHLCS-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.48
Rot. Bonds3

About 6-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine

6-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine (PubChem CID 115417006) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 6-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine
PubChem CID115417006
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name6-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine
SMILESCN(CC1CCCOC1)c1cc(F)ncn1
InChIInChI=1S/C11H16FN3O/c1-15(6-9-3-2-4-16-7-9)11-5-10(12)13-8-14-11/h5,8-9H,2-4,6-7H2,1H3
InChIKeyAWISSEFFBFHLCS-UHFFFAOYSA-N
XLogP1.48
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S*,5R*)-1-[6-(dimethylamino)-4-pyrimidinyl]-5-(4-morpholinylmethyl)-3-piperidinyl]methanol
CID 72850884
4-N,6-N-dimethyl-4-N,6-N-bis(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 75478883
1-(2-Propan-2-ylpyrimidin-4-yl)-7-oxa-1-azaspiro[3.5]nonane
CID 136536549
2-Fluoro-6-[4-(oxetan-3-yl)piperidin-1-yl]pyrimidin-4-amine
CID 134589712
5-Fluoro-2-(5-methoxypentan-2-yl)pyrimidine
CID 142359239
N-[(6,6-dimethyloxan-3-yl)methyl]-N-ethyl-5,6-difluoropyrimidin-4-amine
CID 156872231
N-[[(3R)-6,6-dimethyloxan-3-yl]methyl]-N-ethyl-5,6-difluoropyrimidin-4-amine
CID 156872260
N-[[(3R)-6,6-dimethyloxan-3-yl]methyl]-N-ethyl-5,6-difluoro-1-propylpyrimidin-1-ium-4-amine
CID 156872312
2-chloro-5-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine
CID 79075797
5-fluoro-2-N-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813808
2-N-ethyl-5-fluoro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813811
5-fluoro-4-N-(oxan-3-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80813890

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine (CID 115417006) is 6-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine is CN(CC1CCCOC1)c1cc(F)ncn1.
What is the InChIKey of 6-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is AWISSEFFBFHLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-15(6-9-3-2-4-16-7-9)11-5-10(12)13-8-14-11/h5,8-9H,2-4,6-7H2,1H3.
What are the key properties of 6-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine?
6-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 225.27 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 115417006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).