1-(4-propan-2-yl-6-propylpyrimidin-2-yl)butan-1-amine

C14H25N3 — CID 55206431

IUPAC1-(4-propan-2-yl-6-propylpyrimidin-2-yl)butan-1-amine
SMILESCCCc1cc(C(C)C)nc(C(N)CCC)n1
InChIInChI=1S/C14H25N3/c1-5-7-11-9-13(10(3)4)17-14(16-11)12(15)8-6-2/h9-10,12H,5-8,15H2,1-4H3
InChIKeyZAABOFLBKDDPHA-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.35
Rot. Bonds6

About 1-(4-propan-2-yl-6-propylpyrimidin-2-yl)butan-1-amine

1-(4-propan-2-yl-6-propylpyrimidin-2-yl)butan-1-amine (PubChem CID 55206431) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(4-propan-2-yl-6-propylpyrimidin-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(4-propan-2-yl-6-propylpyrimidin-2-yl)butan-1-amine
PubChem CID55206431
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1-(4-propan-2-yl-6-propylpyrimidin-2-yl)butan-1-amine
SMILESCCCc1cc(C(C)C)nc(C(N)CCC)n1
InChIInChI=1S/C14H25N3/c1-5-7-11-9-13(10(3)4)17-14(16-11)12(15)8-6-2/h9-10,12H,5-8,15H2,1-4H3
InChIKeyZAABOFLBKDDPHA-UHFFFAOYSA-N
XLogP3.35
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-propan-2-yl-6-propylpyrimidin-4-amine
CID 62192677
2-(1-methoxybutyl)-6-propan-2-ylpyrimidin-4-amine
CID 116728648
1-(4-tert-butyl-6-methylpyrimidin-2-yl)butan-1-amine
CID 63318911
2-(2-bromo-6-propan-2-ylpyrimidin-4-yl)ethanamine
CID 83852742
1-(5-methyl-1,2,4-triazin-3-yl)butan-1-amine
CID 82414086
2-propan-2-yl-4-propylpyrimidine
CID 58111235
1-(4-propan-2-yl-6-propylpyrimidin-2-yl)-1,4-diazepane
CID 63319282
[2-(1-ethoxybutyl)-6-propylpyrimidin-4-yl]hydrazine
CID 116730310
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43630134
N-ethyl-2,6-di(propan-2-yl)pyrimidin-4-amine
CID 62191637
1-(4-methylpyrimidin-2-yl)butan-1-amine
CID 63320980
1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)butan-1-amine
CID 62722127

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yl-6-propylpyrimidin-2-yl)butan-1-amine?
The IUPAC name of 1-(4-propan-2-yl-6-propylpyrimidin-2-yl)butan-1-amine (CID 55206431) is 1-(4-propan-2-yl-6-propylpyrimidin-2-yl)butan-1-amine.
What is the SMILES notation for 1-(4-propan-2-yl-6-propylpyrimidin-2-yl)butan-1-amine?
The canonical SMILES for 1-(4-propan-2-yl-6-propylpyrimidin-2-yl)butan-1-amine is CCCc1cc(C(C)C)nc(C(N)CCC)n1.
What is the InChIKey of 1-(4-propan-2-yl-6-propylpyrimidin-2-yl)butan-1-amine?
The InChIKey is ZAABOFLBKDDPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-7-11-9-13(10(3)4)17-14(16-11)12(15)8-6-2/h9-10,12H,5-8,15H2,1-4H3.
What are the key properties of 1-(4-propan-2-yl-6-propylpyrimidin-2-yl)butan-1-amine?
1-(4-propan-2-yl-6-propylpyrimidin-2-yl)butan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yl-6-propylpyrimidin-2-yl)butan-1-amine is sourced from PubChem (CID 55206431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).