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

C11H16F2N4 — CID 123523312

IUPACN-[1-(1,1-difluoropropan-2-yl)azetidin-3-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CN(C(C)C(F)F)C2)ncn1
InChIInChI=1S/C11H16F2N4/c1-7-3-10(15-6-14-7)16-9-4-17(5-9)8(2)11(12)13/h3,6,8-9,11H,4-5H2,1-2H3,(H,14,15,16)
InChIKeyLVTMMXXXIREQAB-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.53
Rot. Bonds4

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

N-[1-(1,1-difluoropropan-2-yl)azetidin-3-yl]-6-methylpyrimidin-4-amine (PubChem CID 123523312) has the molecular formula C11H16F2N4 and a molecular weight of 242.27 g/mol. Its IUPAC name is N-[1-(1,1-difluoropropan-2-yl)azetidin-3-yl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(1,1-difluoropropan-2-yl)azetidin-3-yl]-6-methylpyrimidin-4-amine
PubChem CID123523312
Molecular FormulaC11H16F2N4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC NameN-[1-(1,1-difluoropropan-2-yl)azetidin-3-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CN(C(C)C(F)F)C2)ncn1
InChIInChI=1S/C11H16F2N4/c1-7-3-10(15-6-14-7)16-9-4-17(5-9)8(2)11(12)13/h3,6,8-9,11H,4-5H2,1-2H3,(H,14,15,16)
InChIKeyLVTMMXXXIREQAB-UHFFFAOYSA-N
XLogP1.53
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,1-difluoropropan-2-yl)azetidin-3-yl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(1,1-difluoropropan-2-yl)azetidin-3-yl]-6-methylpyrimidin-4-amine (CID 123523312) is N-[1-(1,1-difluoropropan-2-yl)azetidin-3-yl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(1,1-difluoropropan-2-yl)azetidin-3-yl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(1,1-difluoropropan-2-yl)azetidin-3-yl]-6-methylpyrimidin-4-amine is Cc1cc(NC2CN(C(C)C(F)F)C2)ncn1.
What is the InChIKey of N-[1-(1,1-difluoropropan-2-yl)azetidin-3-yl]-6-methylpyrimidin-4-amine?
The InChIKey is LVTMMXXXIREQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4/c1-7-3-10(15-6-14-7)16-9-4-17(5-9)8(2)11(12)13/h3,6,8-9,11H,4-5H2,1-2H3,(H,14,15,16).
What are the key properties of N-[1-(1,1-difluoropropan-2-yl)azetidin-3-yl]-6-methylpyrimidin-4-amine?
N-[1-(1,1-difluoropropan-2-yl)azetidin-3-yl]-6-methylpyrimidin-4-amine has a molecular weight of 242.27 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,1-difluoropropan-2-yl)azetidin-3-yl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 123523312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).