1-(3-butyl-2-methylidene-4,5-dihydropyrimidin-6-yl)-3-methylbut-1-en-2-amine

C14H25N3 — CID 174137865

IUPAC1-(3-butyl-2-methylidene-4,5-dihydropyrimidin-6-yl)-3-methylbut-1-en-2-amine
SMILESC=C1N=C(C=C(N)C(C)C)CCN1CCCC
InChIInChI=1S/C14H25N3/c1-5-6-8-17-9-7-13(16-12(17)4)10-14(15)11(2)3/h10-11H,4-9,15H2,1-3H3
InChIKeyBGPKLZQMHNIMQQ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.90
Rot. Bonds5

About 1-(3-butyl-2-methylidene-4,5-dihydropyrimidin-6-yl)-3-methylbut-1-en-2-amine

1-(3-butyl-2-methylidene-4,5-dihydropyrimidin-6-yl)-3-methylbut-1-en-2-amine (PubChem CID 174137865) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(3-butyl-2-methylidene-4,5-dihydropyrimidin-6-yl)-3-methylbut-1-en-2-amine.

Molecular Properties

Compound Name1-(3-butyl-2-methylidene-4,5-dihydropyrimidin-6-yl)-3-methylbut-1-en-2-amine
PubChem CID174137865
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1-(3-butyl-2-methylidene-4,5-dihydropyrimidin-6-yl)-3-methylbut-1-en-2-amine
SMILESC=C1N=C(C=C(N)C(C)C)CCN1CCCC
InChIInChI=1S/C14H25N3/c1-5-6-8-17-9-7-13(16-12(17)4)10-14(15)11(2)3/h10-11H,4-9,15H2,1-3H3
InChIKeyBGPKLZQMHNIMQQ-UHFFFAOYSA-N
XLogP2.90
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-butyl-2-methylidene-4,5-dihydropyrimidin-6-yl)-3-methylbut-1-en-2-amine?
The IUPAC name of 1-(3-butyl-2-methylidene-4,5-dihydropyrimidin-6-yl)-3-methylbut-1-en-2-amine (CID 174137865) is 1-(3-butyl-2-methylidene-4,5-dihydropyrimidin-6-yl)-3-methylbut-1-en-2-amine.
What is the SMILES notation for 1-(3-butyl-2-methylidene-4,5-dihydropyrimidin-6-yl)-3-methylbut-1-en-2-amine?
The canonical SMILES for 1-(3-butyl-2-methylidene-4,5-dihydropyrimidin-6-yl)-3-methylbut-1-en-2-amine is C=C1N=C(C=C(N)C(C)C)CCN1CCCC.
What is the InChIKey of 1-(3-butyl-2-methylidene-4,5-dihydropyrimidin-6-yl)-3-methylbut-1-en-2-amine?
The InChIKey is BGPKLZQMHNIMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-6-8-17-9-7-13(16-12(17)4)10-14(15)11(2)3/h10-11H,4-9,15H2,1-3H3.
What are the key properties of 1-(3-butyl-2-methylidene-4,5-dihydropyrimidin-6-yl)-3-methylbut-1-en-2-amine?
1-(3-butyl-2-methylidene-4,5-dihydropyrimidin-6-yl)-3-methylbut-1-en-2-amine has a molecular weight of 235.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butyl-2-methylidene-4,5-dihydropyrimidin-6-yl)-3-methylbut-1-en-2-amine is sourced from PubChem (CID 174137865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).