N-methyl-3-(6-propan-2-ylpyrimidin-4-yl)pentan-2-amine

C13H23N3 — CID 63200378

IUPACN-methyl-3-(6-propan-2-ylpyrimidin-4-yl)pentan-2-amine
SMILESCCC(c1cc(C(C)C)ncn1)C(C)NC
InChIInChI=1S/C13H23N3/c1-6-11(10(4)14-5)13-7-12(9(2)3)15-8-16-13/h7-11,14H,6H2,1-5H3
InChIKeyISDDQBAZOIQDAJ-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.70
Rot. Bonds5

About N-methyl-3-(6-propan-2-ylpyrimidin-4-yl)pentan-2-amine

N-methyl-3-(6-propan-2-ylpyrimidin-4-yl)pentan-2-amine (PubChem CID 63200378) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-methyl-3-(6-propan-2-ylpyrimidin-4-yl)pentan-2-amine.

Molecular Properties

Compound NameN-methyl-3-(6-propan-2-ylpyrimidin-4-yl)pentan-2-amine
PubChem CID63200378
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-methyl-3-(6-propan-2-ylpyrimidin-4-yl)pentan-2-amine
SMILESCCC(c1cc(C(C)C)ncn1)C(C)NC
InChIInChI=1S/C13H23N3/c1-6-11(10(4)14-5)13-7-12(9(2)3)15-8-16-13/h7-11,14H,6H2,1-5H3
InChIKeyISDDQBAZOIQDAJ-UHFFFAOYSA-N
XLogP2.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(6-propan-2-ylpyrimidin-4-yl)pentan-2-amine?
The IUPAC name of N-methyl-3-(6-propan-2-ylpyrimidin-4-yl)pentan-2-amine (CID 63200378) is N-methyl-3-(6-propan-2-ylpyrimidin-4-yl)pentan-2-amine.
What is the SMILES notation for N-methyl-3-(6-propan-2-ylpyrimidin-4-yl)pentan-2-amine?
The canonical SMILES for N-methyl-3-(6-propan-2-ylpyrimidin-4-yl)pentan-2-amine is CCC(c1cc(C(C)C)ncn1)C(C)NC.
What is the InChIKey of N-methyl-3-(6-propan-2-ylpyrimidin-4-yl)pentan-2-amine?
The InChIKey is ISDDQBAZOIQDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-6-11(10(4)14-5)13-7-12(9(2)3)15-8-16-13/h7-11,14H,6H2,1-5H3.
What are the key properties of N-methyl-3-(6-propan-2-ylpyrimidin-4-yl)pentan-2-amine?
N-methyl-3-(6-propan-2-ylpyrimidin-4-yl)pentan-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(6-propan-2-ylpyrimidin-4-yl)pentan-2-amine is sourced from PubChem (CID 63200378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).