2-cyclopropyl-N-[2-(2,6-difluorophenyl)ethyl]pyrimidin-4-amine

C15H15F2N3 — CID 133297581

IUPAC2-cyclopropyl-N-[2-(2,6-difluorophenyl)ethyl]pyrimidin-4-amine
SMILESFc1cccc(F)c1CCNc1ccnc(C2CC2)n1
InChIInChI=1S/C15H15F2N3/c16-12-2-1-3-13(17)11(12)6-8-18-14-7-9-19-15(20-14)10-4-5-10/h1-3,7,9-10H,4-6,8H2,(H,18,19,20)
InChIKeyADTCZWXLYLZFKQ-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.29
Rot. Bonds5

About 2-cyclopropyl-N-[2-(2,6-difluorophenyl)ethyl]pyrimidin-4-amine

2-cyclopropyl-N-[2-(2,6-difluorophenyl)ethyl]pyrimidin-4-amine (PubChem CID 133297581) has the molecular formula C15H15F2N3 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-(2,6-difluorophenyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-(2,6-difluorophenyl)ethyl]pyrimidin-4-amine
PubChem CID133297581
Molecular FormulaC15H15F2N3
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-cyclopropyl-N-[2-(2,6-difluorophenyl)ethyl]pyrimidin-4-amine
SMILESFc1cccc(F)c1CCNc1ccnc(C2CC2)n1
InChIInChI=1S/C15H15F2N3/c16-12-2-1-3-13(17)11(12)6-8-18-14-7-9-19-15(20-14)10-4-5-10/h1-3,7,9-10H,4-6,8H2,(H,18,19,20)
InChIKeyADTCZWXLYLZFKQ-UHFFFAOYSA-N
XLogP3.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-N-[(2,4-difluorophenyl)methyl]pyrimidin-4-amine
CID 154582588
2-cyclopropyl-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine
CID 133304089
2-cyclopropyl-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-4-amine
CID 99809980
2-[(2-cyclopropylpyrimidin-4-yl)amino]acetic acid
CID 83830305
1-[3-[(2-cyclopropylpyrimidin-4-yl)amino]propyl]piperidin-4-ol
CID 133300544
N'-(6-cyclopropyl-2-pyridinyl)ethane-1,2-diamine
CID 83827788
4-N-[2-(2-fluorophenyl)ethyl]-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891248
3-[(2-cyclopropylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 133297412
N-propyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine
CID 65403467
N-(cyclopropylmethyl)-2-(2,6-difluorophenyl)ethanamine
CID 78921629
2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 83836780
2-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine
CID 65391328

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-(2,6-difluorophenyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-[2-(2,6-difluorophenyl)ethyl]pyrimidin-4-amine (CID 133297581) is 2-cyclopropyl-N-[2-(2,6-difluorophenyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[2-(2,6-difluorophenyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[2-(2,6-difluorophenyl)ethyl]pyrimidin-4-amine is Fc1cccc(F)c1CCNc1ccnc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-[2-(2,6-difluorophenyl)ethyl]pyrimidin-4-amine?
The InChIKey is ADTCZWXLYLZFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3/c16-12-2-1-3-13(17)11(12)6-8-18-14-7-9-19-15(20-14)10-4-5-10/h1-3,7,9-10H,4-6,8H2,(H,18,19,20).
What are the key properties of 2-cyclopropyl-N-[2-(2,6-difluorophenyl)ethyl]pyrimidin-4-amine?
2-cyclopropyl-N-[2-(2,6-difluorophenyl)ethyl]pyrimidin-4-amine has a molecular weight of 275.30 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-(2,6-difluorophenyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 133297581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).