5-(2-aminobutyl)-4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine

C18H24N4 — CID 57192096

IUPAC5-(2-aminobutyl)-4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine
SMILESCCC(N)Cc1c(C)nc(Nc2ccccc2)nc1C1CC1
InChIInChI=1S/C18H24N4/c1-3-14(19)11-16-12(2)20-18(22-17(16)13-9-10-13)21-15-7-5-4-6-8-15/h4-8,13-14H,3,9-11,19H2,1-2H3,(H,20,21,22)
InChIKeyYILFZJKRBGHBJR-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.69
Rot. Bonds6

About 5-(2-aminobutyl)-4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine

5-(2-aminobutyl)-4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine (PubChem CID 57192096) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 5-(2-aminobutyl)-4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-aminobutyl)-4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine
PubChem CID57192096
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name5-(2-aminobutyl)-4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine
SMILESCCC(N)Cc1c(C)nc(Nc2ccccc2)nc1C1CC1
InChIInChI=1S/C18H24N4/c1-3-14(19)11-16-12(2)20-18(22-17(16)13-9-10-13)21-15-7-5-4-6-8-15/h4-8,13-14H,3,9-11,19H2,1-2H3,(H,20,21,22)
InChIKeyYILFZJKRBGHBJR-UHFFFAOYSA-N
XLogP3.69
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminobutyl)-4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine?
The IUPAC name of 5-(2-aminobutyl)-4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine (CID 57192096) is 5-(2-aminobutyl)-4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 5-(2-aminobutyl)-4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine?
The canonical SMILES for 5-(2-aminobutyl)-4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine is CCC(N)Cc1c(C)nc(Nc2ccccc2)nc1C1CC1.
What is the InChIKey of 5-(2-aminobutyl)-4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine?
The InChIKey is YILFZJKRBGHBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-3-14(19)11-16-12(2)20-18(22-17(16)13-9-10-13)21-15-7-5-4-6-8-15/h4-8,13-14H,3,9-11,19H2,1-2H3,(H,20,21,22).
What are the key properties of 5-(2-aminobutyl)-4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine?
5-(2-aminobutyl)-4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine has a molecular weight of 296.42 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminobutyl)-4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 57192096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).