N-butan-2-yl-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine

C14H18N4O — CID 53234871

IUPACN-butan-2-yl-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine
SMILESCCC(C)Nc1nc(-c2ccccn2)ncc1OC
InChIInChI=1S/C14H18N4O/c1-4-10(2)17-14-12(19-3)9-16-13(18-14)11-7-5-6-8-15-11/h5-10H,4H2,1-3H3,(H,16,17,18)
InChIKeyXGEWWWDFXUHYOS-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.76
Rot. Bonds5

About N-butan-2-yl-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine

N-butan-2-yl-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 53234871) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-butan-2-yl-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID53234871
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-butan-2-yl-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine
SMILESCCC(C)Nc1nc(-c2ccccn2)ncc1OC
InChIInChI=1S/C14H18N4O/c1-4-10(2)17-14-12(19-3)9-16-13(18-14)11-7-5-6-8-15-11/h5-10H,4H2,1-3H3,(H,16,17,18)
InChIKeyXGEWWWDFXUHYOS-UHFFFAOYSA-N
XLogP2.76
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-butan-2-yl-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-butan-2-yl-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine (CID 53234871) is N-butan-2-yl-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-butan-2-yl-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-butan-2-yl-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine is CCC(C)Nc1nc(-c2ccccn2)ncc1OC.
What is the InChIKey of N-butan-2-yl-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is XGEWWWDFXUHYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-4-10(2)17-14-12(19-3)9-16-13(18-14)11-7-5-6-8-15-11/h5-10H,4H2,1-3H3,(H,16,17,18).
What are the key properties of N-butan-2-yl-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine?
N-butan-2-yl-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 258.32 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 53234871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).