N-[[1-(dimethylamino)cyclohexyl]methyl]-5-fluoro-4-methoxypyrimidin-2-amine

C14H23FN4O — CID 131893391

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-5-fluoro-4-methoxypyrimidin-2-amine
SMILESCOc1nc(NCC2(N(C)C)CCCCC2)ncc1F
InChIInChI=1S/C14H23FN4O/c1-19(2)14(7-5-4-6-8-14)10-17-13-16-9-11(15)12(18-13)20-3/h9H,4-8,10H2,1-3H3,(H,16,17,18)
InChIKeyIDPPQEPRRLRMJM-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.30
Rot. Bonds5

About N-[[1-(dimethylamino)cyclohexyl]methyl]-5-fluoro-4-methoxypyrimidin-2-amine

N-[[1-(dimethylamino)cyclohexyl]methyl]-5-fluoro-4-methoxypyrimidin-2-amine (PubChem CID 131893391) has the molecular formula C14H23FN4O and a molecular weight of 282.36 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-5-fluoro-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-5-fluoro-4-methoxypyrimidin-2-amine
PubChem CID131893391
Molecular FormulaC14H23FN4O
Molecular Weight282.36 g/mol
Exact Mass282.19
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-5-fluoro-4-methoxypyrimidin-2-amine
SMILESCOc1nc(NCC2(N(C)C)CCCCC2)ncc1F
InChIInChI=1S/C14H23FN4O/c1-19(2)14(7-5-4-6-8-14)10-17-13-16-9-11(15)12(18-13)20-3/h9H,4-8,10H2,1-3H3,(H,16,17,18)
InChIKeyIDPPQEPRRLRMJM-UHFFFAOYSA-N
XLogP2.30
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(dimethylamino)cyclohexyl]methyl]-5-fluoro-4-methoxypyrimidin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-5-fluoro-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-5-fluoro-4-methoxypyrimidin-2-amine (CID 131893391) is N-[[1-(dimethylamino)cyclohexyl]methyl]-5-fluoro-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-5-fluoro-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-5-fluoro-4-methoxypyrimidin-2-amine is COc1nc(NCC2(N(C)C)CCCCC2)ncc1F.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-5-fluoro-4-methoxypyrimidin-2-amine?
The InChIKey is IDPPQEPRRLRMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4O/c1-19(2)14(7-5-4-6-8-14)10-17-13-16-9-11(15)12(18-13)20-3/h9H,4-8,10H2,1-3H3,(H,16,17,18).
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-5-fluoro-4-methoxypyrimidin-2-amine?
N-[[1-(dimethylamino)cyclohexyl]methyl]-5-fluoro-4-methoxypyrimidin-2-amine has a molecular weight of 282.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]-5-fluoro-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 131893391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).