N-[1-(2,2-difluoro-2-phosphanylethyl)azetidin-3-yl]-6-methylpyrimidin-4-amine

C10H15F2N4P — CID 170045205

IUPACN-[1-(2,2-difluoro-2-phosphanylethyl)azetidin-3-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CN(CC(F)(F)P)C2)ncn1
InChIInChI=1S/C10H15F2N4P/c1-7-2-9(14-6-13-7)15-8-3-16(4-8)5-10(11,12)17/h2,6,8H,3-5,17H2,1H3,(H,13,14,15)
InChIKeySIRBLKQSUXKTCG-UHFFFAOYSA-N
MW260.23 g/mol
LogP1.35
Rot. Bonds4

About N-[1-(2,2-difluoro-2-phosphanylethyl)azetidin-3-yl]-6-methylpyrimidin-4-amine

N-[1-(2,2-difluoro-2-phosphanylethyl)azetidin-3-yl]-6-methylpyrimidin-4-amine (PubChem CID 170045205) has the molecular formula C10H15F2N4P and a molecular weight of 260.23 g/mol. Its IUPAC name is N-[1-(2,2-difluoro-2-phosphanylethyl)azetidin-3-yl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2,2-difluoro-2-phosphanylethyl)azetidin-3-yl]-6-methylpyrimidin-4-amine
PubChem CID170045205
Molecular FormulaC10H15F2N4P
Molecular Weight260.23 g/mol
Exact Mass260.10
IUPAC NameN-[1-(2,2-difluoro-2-phosphanylethyl)azetidin-3-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CN(CC(F)(F)P)C2)ncn1
InChIInChI=1S/C10H15F2N4P/c1-7-2-9(14-6-13-7)15-8-3-16(4-8)5-10(11,12)17/h2,6,8H,3-5,17H2,1H3,(H,13,14,15)
InChIKeySIRBLKQSUXKTCG-UHFFFAOYSA-N
XLogP1.35
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,2-dimethylpropyl)piperidin-3-yl]-6-methylpyrimidin-4-amine
CID 171994731
N-methyl-3-[(6-methylpyrimidin-4-yl)amino]azetidine-1-carboxamide
CID 118553740
N-cyclobutyl-6-methylpyrimidin-4-amine
CID 62416944
6-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 171998278
N-(3,5-dimethylcyclohexyl)-6-methylpyrimidin-4-amine
CID 64723771
ethane;5-methyl-4-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]pyridin-2-amine
CID 144986362
N-[1-(cyclobutylmethyl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887813
6-methyl-N-[1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 171996018
N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methylpyrimidin-4-amine
CID 172881008
6-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171995148
6-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 171998279
6-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 126724510

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoro-2-phosphanylethyl)azetidin-3-yl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(2,2-difluoro-2-phosphanylethyl)azetidin-3-yl]-6-methylpyrimidin-4-amine (CID 170045205) is N-[1-(2,2-difluoro-2-phosphanylethyl)azetidin-3-yl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(2,2-difluoro-2-phosphanylethyl)azetidin-3-yl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(2,2-difluoro-2-phosphanylethyl)azetidin-3-yl]-6-methylpyrimidin-4-amine is Cc1cc(NC2CN(CC(F)(F)P)C2)ncn1.
What is the InChIKey of N-[1-(2,2-difluoro-2-phosphanylethyl)azetidin-3-yl]-6-methylpyrimidin-4-amine?
The InChIKey is SIRBLKQSUXKTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N4P/c1-7-2-9(14-6-13-7)15-8-3-16(4-8)5-10(11,12)17/h2,6,8H,3-5,17H2,1H3,(H,13,14,15).
What are the key properties of N-[1-(2,2-difluoro-2-phosphanylethyl)azetidin-3-yl]-6-methylpyrimidin-4-amine?
N-[1-(2,2-difluoro-2-phosphanylethyl)azetidin-3-yl]-6-methylpyrimidin-4-amine has a molecular weight of 260.23 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoro-2-phosphanylethyl)azetidin-3-yl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 170045205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).