N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine

C14H14F2N4 — CID 112883986

IUPACN-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
SMILESFc1ccc(Nc2nccc(N3CCCC3)n2)cc1F
InChIInChI=1S/C14H14F2N4/c15-11-4-3-10(9-12(11)16)18-14-17-6-5-13(19-14)20-7-1-2-8-20/h3-6,9H,1-2,7-8H2,(H,17,18,19)
InChIKeyKPUONMHOWFFGTK-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.10
Rot. Bonds3

About N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine

N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 112883986) has the molecular formula C14H14F2N4 and a molecular weight of 276.29 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID112883986
Molecular FormulaC14H14F2N4
Molecular Weight276.29 g/mol
Exact Mass276.12
IUPAC NameN-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
SMILESFc1ccc(Nc2nccc(N3CCCC3)n2)cc1F
InChIInChI=1S/C14H14F2N4/c15-11-4-3-10(9-12(11)16)18-14-17-6-5-13(19-14)20-7-1-2-8-20/h3-6,9H,1-2,7-8H2,(H,17,18,19)
InChIKeyKPUONMHOWFFGTK-UHFFFAOYSA-N
XLogP3.10
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884544
N-(3,4-difluorophenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112901714
N-(3,4-difluorophenyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941993
4-(azepan-1-yl)-N-(4-bromophenyl)pyrimidin-2-amine
CID 112901564
4-(azepan-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 112901579
N-(3-chloro-4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112896431
N-(3,4-difluorophenyl)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine
CID 112899633
4-(azepan-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 112901537
N-(2,4-difluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884594
N-(3-chloro-4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112901029
N-[3-[(4-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 112883935
4-N,4-N-diethyl-1-N-(4-pyrrolidin-1-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 112883943

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine (CID 112883986) is N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine is Fc1ccc(Nc2nccc(N3CCCC3)n2)cc1F.
What is the InChIKey of N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is KPUONMHOWFFGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4/c15-11-4-3-10(9-12(11)16)18-14-17-6-5-13(19-14)20-7-1-2-8-20/h3-6,9H,1-2,7-8H2,(H,17,18,19).
What are the key properties of N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine?
N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 276.29 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 112883986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).