2-cyclopropyl-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-4-amine

C17H18FN3 — CID 99809980

IUPAC2-cyclopropyl-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-4-amine
SMILESFc1cccc(C2(CNc3ccnc(C4CC4)n3)CC2)c1
InChIInChI=1S/C17H18FN3/c18-14-3-1-2-13(10-14)17(7-8-17)11-20-15-6-9-19-16(21-15)12-4-5-12/h1-3,6,9-10,12H,4-5,7-8,11H2,(H,19,20,21)
InChIKeyUDZLHXNWGGTSKS-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.64
Rot. Bonds5

About 2-cyclopropyl-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-4-amine

2-cyclopropyl-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-4-amine (PubChem CID 99809980) has the molecular formula C17H18FN3 and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-4-amine
PubChem CID99809980
Molecular FormulaC17H18FN3
Molecular Weight283.35 g/mol
Exact Mass283.15
IUPAC Name2-cyclopropyl-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-4-amine
SMILESFc1cccc(C2(CNc3ccnc(C4CC4)n3)CC2)c1
InChIInChI=1S/C17H18FN3/c18-14-3-1-2-13(10-14)17(7-8-17)11-20-15-6-9-19-16(21-15)12-4-5-12/h1-3,6,9-10,12H,4-5,7-8,11H2,(H,19,20,21)
InChIKeyUDZLHXNWGGTSKS-UHFFFAOYSA-N
XLogP3.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62595883
N-[3-[[(2-cyclopropylpyrimidin-4-yl)amino]methyl]phenyl]-3-fluorobenzamide
CID 133297956
2-cyclopropyl-N-[(2,4-difluorophenyl)methyl]pyrimidin-4-amine
CID 154582588
1-[3-[4-[[1-(3-fluorophenyl)cyclopentyl]methylamino]-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 46958404
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyridine-4-carboxamide
CID 110482056
6-ethyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-pyridin-2-ylpyrimidin-4-amine
CID 133291402
2-cyclopropyl-N-[(4-methoxyoxan-4-yl)methyl]pyrimidin-4-amine
CID 133400059
6-[(2S,4S)-2-(aminomethyl)-4-methoxypyrrolidin-1-yl]-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-4-amine
CID 146115719
N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-2-cyclopropylpyrimidin-4-amine
CID 133298913
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 60570236
2-(4,4-dimethylcyclohexyl)-4-fluoropyrimidine
CID 164652133
(3R)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]oxolan-3-amine
CID 125448466

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-4-amine (CID 99809980) is 2-cyclopropyl-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-4-amine is Fc1cccc(C2(CNc3ccnc(C4CC4)n3)CC2)c1.
What is the InChIKey of 2-cyclopropyl-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-4-amine?
The InChIKey is UDZLHXNWGGTSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3/c18-14-3-1-2-13(10-14)17(7-8-17)11-20-15-6-9-19-16(21-15)12-4-5-12/h1-3,6,9-10,12H,4-5,7-8,11H2,(H,19,20,21).
What are the key properties of 2-cyclopropyl-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-4-amine?
2-cyclopropyl-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-4-amine has a molecular weight of 283.35 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 99809980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).