4-(2,2-difluoroethyl)pyrimidin-2-amine

C6H7F2N3 — CID 142783789

IUPAC4-(2,2-difluoroethyl)pyrimidin-2-amine
SMILESNc1nccc(CC(F)F)n1
InChIInChI=1S/C6H7F2N3/c7-5(8)3-4-1-2-10-6(9)11-4/h1-2,5H,3H2,(H2,9,10,11)
InChIKeyJAJWNDJGPRBZSI-UHFFFAOYSA-N
MW159.14 g/mol
LogP0.87
Rot. Bonds2

About 4-(2,2-difluoroethyl)pyrimidin-2-amine

4-(2,2-difluoroethyl)pyrimidin-2-amine (PubChem CID 142783789) has the molecular formula C6H7F2N3 and a molecular weight of 159.14 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)pyrimidin-2-amine
PubChem CID142783789
Molecular FormulaC6H7F2N3
Molecular Weight159.14 g/mol
Exact Mass159.06
IUPAC Name4-(2,2-difluoroethyl)pyrimidin-2-amine
SMILESNc1nccc(CC(F)F)n1
InChIInChI=1S/C6H7F2N3/c7-5(8)3-4-1-2-10-6(9)11-4/h1-2,5H,3H2,(H2,9,10,11)
InChIKeyJAJWNDJGPRBZSI-UHFFFAOYSA-N
XLogP0.87
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(chloromethyl)pyrimidin-2-amine
CID 20557938
2-(2-aminopyrimidin-4-yl)ethanol
CID 22444209
4-[[4-(aminomethyl)phenyl]methyl]pyrimidin-2-amine
CID 67521020
4-nonadecylpyrimidin-2-amine
CID 141119145
N-[1-(2-aminopyrimidin-4-yl)propan-2-ylidene]hydroxylamine
CID 140598081
(NE)-N-[1-(2-aminopyrimidin-4-yl)propan-2-ylidene]hydroxylamine
CID 87327112
(Z)-5-(2-aminopyrimidin-4-yl)-4-methyl-1-prop-2-enoxypent-2-en-2-ol
CID 143464428
4-(imidazol-1-ylmethyl)pyrimidin-2-amine
CID 130536364
4-pentan-3-ylpyrimidin-2-amine
CID 90738361
[4-(difluoromethyl)pyrimidin-2-yl]methanamine;hydrochloride
CID 119031436
4-[(1S)-1-aminoethyl]pyrimidin-2-amine
CID 82418451
4-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 175987067

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)pyrimidin-2-amine?
The IUPAC name of 4-(2,2-difluoroethyl)pyrimidin-2-amine (CID 142783789) is 4-(2,2-difluoroethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,2-difluoroethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,2-difluoroethyl)pyrimidin-2-amine is Nc1nccc(CC(F)F)n1.
What is the InChIKey of 4-(2,2-difluoroethyl)pyrimidin-2-amine?
The InChIKey is JAJWNDJGPRBZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3/c7-5(8)3-4-1-2-10-6(9)11-4/h1-2,5H,3H2,(H2,9,10,11).
What are the key properties of 4-(2,2-difluoroethyl)pyrimidin-2-amine?
4-(2,2-difluoroethyl)pyrimidin-2-amine has a molecular weight of 159.14 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)pyrimidin-2-amine is sourced from PubChem (CID 142783789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).