(2R)-3-cyclopropyl-2-[2-(difluoromethyl)pyrimidin-5-yl]-2-methylpropan-1-amine

C12H17F2N3 — CID 129409399

IUPAC(2R)-3-cyclopropyl-2-[2-(difluoromethyl)pyrimidin-5-yl]-2-methylpropan-1-amine
SMILESC[C@@](CN)(CC1CC1)c1cnc(C(F)F)nc1
InChIInChI=1S/C12H17F2N3/c1-12(7-15,4-8-2-3-8)9-5-16-11(10(13)14)17-6-9/h5-6,8,10H,2-4,7,15H2,1H3/t12-/m0/s1
InChIKeyKSCHOJPQAMDEGM-LBPRGKRZSA-N
MW241.28 g/mol
LogP2.43
Rot. Bonds5

About (2R)-3-cyclopropyl-2-[2-(difluoromethyl)pyrimidin-5-yl]-2-methylpropan-1-amine

(2R)-3-cyclopropyl-2-[2-(difluoromethyl)pyrimidin-5-yl]-2-methylpropan-1-amine (PubChem CID 129409399) has the molecular formula C12H17F2N3 and a molecular weight of 241.28 g/mol. Its IUPAC name is (2R)-3-cyclopropyl-2-[2-(difluoromethyl)pyrimidin-5-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name(2R)-3-cyclopropyl-2-[2-(difluoromethyl)pyrimidin-5-yl]-2-methylpropan-1-amine
PubChem CID129409399
Molecular FormulaC12H17F2N3
Molecular Weight241.28 g/mol
Exact Mass241.14
IUPAC Name(2R)-3-cyclopropyl-2-[2-(difluoromethyl)pyrimidin-5-yl]-2-methylpropan-1-amine
SMILESC[C@@](CN)(CC1CC1)c1cnc(C(F)F)nc1
InChIInChI=1S/C12H17F2N3/c1-12(7-15,4-8-2-3-8)9-5-16-11(10(13)14)17-6-9/h5-6,8,10H,2-4,7,15H2,1H3/t12-/m0/s1
InChIKeyKSCHOJPQAMDEGM-LBPRGKRZSA-N
XLogP2.43
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-cyclopropyl-2-[2-(difluoromethyl)pyrimidin-5-yl]-2-methylpropan-1-amine?
The IUPAC name of (2R)-3-cyclopropyl-2-[2-(difluoromethyl)pyrimidin-5-yl]-2-methylpropan-1-amine (CID 129409399) is (2R)-3-cyclopropyl-2-[2-(difluoromethyl)pyrimidin-5-yl]-2-methylpropan-1-amine.
What is the SMILES notation for (2R)-3-cyclopropyl-2-[2-(difluoromethyl)pyrimidin-5-yl]-2-methylpropan-1-amine?
The canonical SMILES for (2R)-3-cyclopropyl-2-[2-(difluoromethyl)pyrimidin-5-yl]-2-methylpropan-1-amine is C[C@@](CN)(CC1CC1)c1cnc(C(F)F)nc1.
What is the InChIKey of (2R)-3-cyclopropyl-2-[2-(difluoromethyl)pyrimidin-5-yl]-2-methylpropan-1-amine?
The InChIKey is KSCHOJPQAMDEGM-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17F2N3/c1-12(7-15,4-8-2-3-8)9-5-16-11(10(13)14)17-6-9/h5-6,8,10H,2-4,7,15H2,1H3/t12-/m0/s1.
What are the key properties of (2R)-3-cyclopropyl-2-[2-(difluoromethyl)pyrimidin-5-yl]-2-methylpropan-1-amine?
(2R)-3-cyclopropyl-2-[2-(difluoromethyl)pyrimidin-5-yl]-2-methylpropan-1-amine has a molecular weight of 241.28 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-cyclopropyl-2-[2-(difluoromethyl)pyrimidin-5-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 129409399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).