N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-5-fluoropyrimidin-2-amine

C15H23FN4 — CID 125443539

IUPACN-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-5-fluoropyrimidin-2-amine
SMILESFc1cnc(NC[C@H]2CCN(C3CCCCC3)C2)nc1
InChIInChI=1S/C15H23FN4/c16-13-9-18-15(19-10-13)17-8-12-6-7-20(11-12)14-4-2-1-3-5-14/h9-10,12,14H,1-8,11H2,(H,17,18,19)/t12-/m1/s1
InChIKeyIGLBMJJIXGLPHF-GFCCVEGCSA-N
MW278.37 g/mol
LogP2.68
Rot. Bonds4

About N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-5-fluoropyrimidin-2-amine

N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-5-fluoropyrimidin-2-amine (PubChem CID 125443539) has the molecular formula C15H23FN4 and a molecular weight of 278.37 g/mol. Its IUPAC name is N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-5-fluoropyrimidin-2-amine
PubChem CID125443539
Molecular FormulaC15H23FN4
Molecular Weight278.37 g/mol
Exact Mass278.19
IUPAC NameN-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-5-fluoropyrimidin-2-amine
SMILESFc1cnc(NC[C@H]2CCN(C3CCCCC3)C2)nc1
InChIInChI=1S/C15H23FN4/c16-13-9-18-15(19-10-13)17-8-12-6-7-20(11-12)14-4-2-1-3-5-14/h9-10,12,14H,1-8,11H2,(H,17,18,19)/t12-/m1/s1
InChIKeyIGLBMJJIXGLPHF-GFCCVEGCSA-N
XLogP2.68
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-5-fluoropyrimidin-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-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-5-fluoropyrimidin-2-amine?
The IUPAC name of N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-5-fluoropyrimidin-2-amine (CID 125443539) is N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-5-fluoropyrimidin-2-amine is Fc1cnc(NC[C@H]2CCN(C3CCCCC3)C2)nc1.
What is the InChIKey of N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-5-fluoropyrimidin-2-amine?
The InChIKey is IGLBMJJIXGLPHF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23FN4/c16-13-9-18-15(19-10-13)17-8-12-6-7-20(11-12)14-4-2-1-3-5-14/h9-10,12,14H,1-8,11H2,(H,17,18,19)/t12-/m1/s1.
What are the key properties of N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-5-fluoropyrimidin-2-amine?
N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-5-fluoropyrimidin-2-amine has a molecular weight of 278.37 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 125443539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).