1-N-(6-propylpyrimidin-4-yl)butane-1,3-diamine

C11H20N4 — CID 63251185

IUPAC1-N-(6-propylpyrimidin-4-yl)butane-1,3-diamine
SMILESCCCc1cc(NCCC(C)N)ncn1
InChIInChI=1S/C11H20N4/c1-3-4-10-7-11(15-8-14-10)13-6-5-9(2)12/h7-9H,3-6,12H2,1-2H3,(H,13,14,15)
InChIKeyGPBDZKBNKUHDNT-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.58
Rot. Bonds6

About 1-N-(6-propylpyrimidin-4-yl)butane-1,3-diamine

1-N-(6-propylpyrimidin-4-yl)butane-1,3-diamine (PubChem CID 63251185) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-N-(6-propylpyrimidin-4-yl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N-(6-propylpyrimidin-4-yl)butane-1,3-diamine
PubChem CID63251185
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-N-(6-propylpyrimidin-4-yl)butane-1,3-diamine
SMILESCCCc1cc(NCCC(C)N)ncn1
InChIInChI=1S/C11H20N4/c1-3-4-10-7-11(15-8-14-10)13-6-5-9(2)12/h7-9H,3-6,12H2,1-2H3,(H,13,14,15)
InChIKeyGPBDZKBNKUHDNT-UHFFFAOYSA-N
XLogP1.58
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine
CID 61241880
N-(2-phenylethyl)-6-propylpyrimidin-4-amine
CID 61240140
N-(2-methylbutyl)-6-propylpyrimidin-4-amine
CID 62694370
2-propyl-N-(6-propylpyrimidin-4-yl)butane-1,4-diamine
CID 106116522
N-(2-phenylsulfanylethyl)-6-propylpyrimidin-4-amine
CID 61239569
N-(5-methylhexan-2-yl)-6-propylpyrimidin-4-amine
CID 63926924
N-(2-cyclopentylethyl)-6-propylpyrimidin-4-amine
CID 61241874
N-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpyrimidin-4-amine
CID 61242268
N-[2-(1-methylpyrazol-4-yl)ethyl]-6-propylpyrimidin-4-amine
CID 80689109
N-(3-cyclopentylpropyl)-6-propylpyrimidin-4-amine
CID 106012599
N-(2-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine
CID 104762532
6-propyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 79363066

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-propylpyrimidin-4-yl)butane-1,3-diamine?
The IUPAC name of 1-N-(6-propylpyrimidin-4-yl)butane-1,3-diamine (CID 63251185) is 1-N-(6-propylpyrimidin-4-yl)butane-1,3-diamine.
What is the SMILES notation for 1-N-(6-propylpyrimidin-4-yl)butane-1,3-diamine?
The canonical SMILES for 1-N-(6-propylpyrimidin-4-yl)butane-1,3-diamine is CCCc1cc(NCCC(C)N)ncn1.
What is the InChIKey of 1-N-(6-propylpyrimidin-4-yl)butane-1,3-diamine?
The InChIKey is GPBDZKBNKUHDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-3-4-10-7-11(15-8-14-10)13-6-5-9(2)12/h7-9H,3-6,12H2,1-2H3,(H,13,14,15).
What are the key properties of 1-N-(6-propylpyrimidin-4-yl)butane-1,3-diamine?
1-N-(6-propylpyrimidin-4-yl)butane-1,3-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-propylpyrimidin-4-yl)butane-1,3-diamine is sourced from PubChem (CID 63251185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).