N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-fluoropyrimidin-2-amine

C10H13F3N4 — CID 134542731

IUPACN-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-fluoropyrimidin-2-amine
SMILESFc1cnc(NC[C@H]2CCNCC2(F)F)nc1
InChIInChI=1S/C10H13F3N4/c11-8-4-16-9(17-5-8)15-3-7-1-2-14-6-10(7,12)13/h4-5,7,14H,1-3,6H2,(H,15,16,17)/t7-/m1/s1
InChIKeyJXWLTMAZSOTPTE-SSDOTTSWSA-N
MW246.24 g/mol
LogP1.27
Rot. Bonds3

About N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-fluoropyrimidin-2-amine

N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-fluoropyrimidin-2-amine (PubChem CID 134542731) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-fluoropyrimidin-2-amine
PubChem CID134542731
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC NameN-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-fluoropyrimidin-2-amine
SMILESFc1cnc(NC[C@H]2CCNCC2(F)F)nc1
InChIInChI=1S/C10H13F3N4/c11-8-4-16-9(17-5-8)15-3-7-1-2-14-6-10(7,12)13/h4-5,7,14H,1-3,6H2,(H,15,16,17)/t7-/m1/s1
InChIKeyJXWLTMAZSOTPTE-SSDOTTSWSA-N
XLogP1.27
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(4R)-3,3-difluoropiperidin-4-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

Related Compounds

5-Fluoro-2-(piperazin-1-yl)pyrimidine
CID 10058158
1-Cyclohexyl-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butylamine
CID 15729927
5-Fluoro-2-(piperidin-1-yl)pyrimidin-4-amine
CID 745185
1-(2-Pyrimidinyl)-4-piperidinemethanamine
CID 10631607
(1-(Pyrimidin-2-yl)piperidin-4-yl)methanamine dihydrochloride
CID 19079019
5-(2,8-diazaspiro[4.5]dec-2-ylmethyl)-N,N-dimethylpyrimidin-2-amine
CID 56712809
N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-2-amine
CID 71978664
N-Methyl-5-({methyl[2-(piperidin-1-YL)ethyl]amino}methyl)pyrimidin-2-amine
CID 73945372
5-{[(1-Isopropylpiperidin-4-YL)(methyl)amino]methyl}-N-methylpyrimidin-2-amine
CID 95857554
10,10-Difluoro-2-(pyrimidin-2-yl)-2,7-diazaspiro[4.5]decane
CID 118739006
2-(Piperazin-1-YL)-5-(trifluoromethyl)pyrimidine
CID 16314797
(1-(Pyrimidin-2-yl)piperidin-3-yl)methanamine
CID 44721316

Frequently Asked Questions

What is the IUPAC name of N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-fluoropyrimidin-2-amine?
The IUPAC name of N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-fluoropyrimidin-2-amine (CID 134542731) is N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-fluoropyrimidin-2-amine is Fc1cnc(NC[C@H]2CCNCC2(F)F)nc1.
What is the InChIKey of N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-fluoropyrimidin-2-amine?
The InChIKey is JXWLTMAZSOTPTE-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13F3N4/c11-8-4-16-9(17-5-8)15-3-7-1-2-14-6-10(7,12)13/h4-5,7,14H,1-3,6H2,(H,15,16,17)/t7-/m1/s1.
What are the key properties of N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-fluoropyrimidin-2-amine?
N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-fluoropyrimidin-2-amine has a molecular weight of 246.24 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 134542731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).