N-[[4-fluoro-1-(7-methylpurin-6-yl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine

C18H23FN8 — CID 171323725

IUPACN-[[4-fluoro-1-(7-methylpurin-6-yl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(NCC2(F)CCN(c3ncnc4ncn(C)c34)CC2)nc(C)n1
InChIInChI=1S/C18H23FN8/c1-12-8-14(25-13(2)24-12)20-9-18(19)4-6-27(7-5-18)17-15-16(21-10-22-17)23-11-26(15)3/h8,10-11H,4-7,9H2,1-3H3,(H,20,24,25)
InChIKeyAJDWUYDTORPTDF-UHFFFAOYSA-N
MW370.44 g/mol
LogP2.19
Rot. Bonds4

About N-[[4-fluoro-1-(7-methylpurin-6-yl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine

N-[[4-fluoro-1-(7-methylpurin-6-yl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine (PubChem CID 171323725) has the molecular formula C18H23FN8 and a molecular weight of 370.44 g/mol. Its IUPAC name is N-[[4-fluoro-1-(7-methylpurin-6-yl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-fluoro-1-(7-methylpurin-6-yl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
PubChem CID171323725
Molecular FormulaC18H23FN8
Molecular Weight370.44 g/mol
Exact Mass370.20
IUPAC NameN-[[4-fluoro-1-(7-methylpurin-6-yl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(NCC2(F)CCN(c3ncnc4ncn(C)c34)CC2)nc(C)n1
InChIInChI=1S/C18H23FN8/c1-12-8-14(25-13(2)24-12)20-9-18(19)4-6-27(7-5-18)17-15-16(21-10-22-17)23-11-26(15)3/h8,10-11H,4-7,9H2,1-3H3,(H,20,24,25)
InChIKeyAJDWUYDTORPTDF-UHFFFAOYSA-N
XLogP2.19
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[4-fluoro-1-(7-methylpurin-6-yl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-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

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-1-(7-methylpurin-6-yl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-[[4-fluoro-1-(7-methylpurin-6-yl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine (CID 171323725) is N-[[4-fluoro-1-(7-methylpurin-6-yl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[[4-fluoro-1-(7-methylpurin-6-yl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[[4-fluoro-1-(7-methylpurin-6-yl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine is Cc1cc(NCC2(F)CCN(c3ncnc4ncn(C)c34)CC2)nc(C)n1.
What is the InChIKey of N-[[4-fluoro-1-(7-methylpurin-6-yl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine?
The InChIKey is AJDWUYDTORPTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN8/c1-12-8-14(25-13(2)24-12)20-9-18(19)4-6-27(7-5-18)17-15-16(21-10-22-17)23-11-26(15)3/h8,10-11H,4-7,9H2,1-3H3,(H,20,24,25).
What are the key properties of N-[[4-fluoro-1-(7-methylpurin-6-yl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine?
N-[[4-fluoro-1-(7-methylpurin-6-yl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine has a molecular weight of 370.44 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-1-(7-methylpurin-6-yl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 171323725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).