N-butyl-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine

C15H20N4 — CID 59340680

IUPACN-butyl-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCCCCN(C)c1cc(C)nc(-c2cccnc2)n1
InChIInChI=1S/C15H20N4/c1-4-5-9-19(3)14-10-12(2)17-15(18-14)13-7-6-8-16-11-13/h6-8,10-11H,4-5,9H2,1-3H3
InChIKeyBFHNYUNZHQNYMJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.08
Rot. Bonds5

About N-butyl-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine

N-butyl-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 59340680) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-butyl-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID59340680
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-butyl-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCCCCN(C)c1cc(C)nc(-c2cccnc2)n1
InChIInChI=1S/C15H20N4/c1-4-5-9-19(3)14-10-12(2)17-15(18-14)13-7-6-8-16-11-13/h6-8,10-11H,4-5,9H2,1-3H3
InChIKeyBFHNYUNZHQNYMJ-UHFFFAOYSA-N
XLogP3.08
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-butyl-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine (CID 59340680) is N-butyl-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-butyl-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-butyl-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine is CCCCN(C)c1cc(C)nc(-c2cccnc2)n1.
What is the InChIKey of N-butyl-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is BFHNYUNZHQNYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-4-5-9-19(3)14-10-12(2)17-15(18-14)13-7-6-8-16-11-13/h6-8,10-11H,4-5,9H2,1-3H3.
What are the key properties of N-butyl-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine?
N-butyl-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 256.35 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 59340680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).