5-butyl-N-ethyl-4-methyl-6-propoxypyrimidin-2-amine

C14H25N3O — CID 22768200

IUPAC5-butyl-N-ethyl-4-methyl-6-propoxypyrimidin-2-amine
SMILESCCCCc1c(C)nc(NCC)nc1OCCC
InChIInChI=1S/C14H25N3O/c1-5-8-9-12-11(4)16-14(15-7-3)17-13(12)18-10-6-2/h5-10H2,1-4H3,(H,15,16,17)
InChIKeyJZZZGPUBDKYMIB-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.35
Rot. Bonds8

About 5-butyl-N-ethyl-4-methyl-6-propoxypyrimidin-2-amine

5-butyl-N-ethyl-4-methyl-6-propoxypyrimidin-2-amine (PubChem CID 22768200) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-butyl-N-ethyl-4-methyl-6-propoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-butyl-N-ethyl-4-methyl-6-propoxypyrimidin-2-amine
PubChem CID22768200
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name5-butyl-N-ethyl-4-methyl-6-propoxypyrimidin-2-amine
SMILESCCCCc1c(C)nc(NCC)nc1OCCC
InChIInChI=1S/C14H25N3O/c1-5-8-9-12-11(4)16-14(15-7-3)17-13(12)18-10-6-2/h5-10H2,1-4H3,(H,15,16,17)
InChIKeyJZZZGPUBDKYMIB-UHFFFAOYSA-N
XLogP3.35
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-N-ethyl-4-methyl-6-propoxypyrimidin-2-amine?
The IUPAC name of 5-butyl-N-ethyl-4-methyl-6-propoxypyrimidin-2-amine (CID 22768200) is 5-butyl-N-ethyl-4-methyl-6-propoxypyrimidin-2-amine.
What is the SMILES notation for 5-butyl-N-ethyl-4-methyl-6-propoxypyrimidin-2-amine?
The canonical SMILES for 5-butyl-N-ethyl-4-methyl-6-propoxypyrimidin-2-amine is CCCCc1c(C)nc(NCC)nc1OCCC.
What is the InChIKey of 5-butyl-N-ethyl-4-methyl-6-propoxypyrimidin-2-amine?
The InChIKey is JZZZGPUBDKYMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-8-9-12-11(4)16-14(15-7-3)17-13(12)18-10-6-2/h5-10H2,1-4H3,(H,15,16,17).
What are the key properties of 5-butyl-N-ethyl-4-methyl-6-propoxypyrimidin-2-amine?
5-butyl-N-ethyl-4-methyl-6-propoxypyrimidin-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-N-ethyl-4-methyl-6-propoxypyrimidin-2-amine is sourced from PubChem (CID 22768200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).