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

C14H26N4 — CID 106116522

IUPAC2-propyl-N-(6-propylpyrimidin-4-yl)butane-1,4-diamine
SMILESCCCc1cc(NCC(CCC)CCN)ncn1
InChIInChI=1S/C14H26N4/c1-3-5-12(7-8-15)10-16-14-9-13(6-4-2)17-11-18-14/h9,11-12H,3-8,10,15H2,1-2H3,(H,16,17,18)
InChIKeyVZONRVGYDHMJBW-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.61
Rot. Bonds9

About 2-propyl-N-(6-propylpyrimidin-4-yl)butane-1,4-diamine

2-propyl-N-(6-propylpyrimidin-4-yl)butane-1,4-diamine (PubChem CID 106116522) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-propyl-N-(6-propylpyrimidin-4-yl)butane-1,4-diamine.

Molecular Properties

Compound Name2-propyl-N-(6-propylpyrimidin-4-yl)butane-1,4-diamine
PubChem CID106116522
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name2-propyl-N-(6-propylpyrimidin-4-yl)butane-1,4-diamine
SMILESCCCc1cc(NCC(CCC)CCN)ncn1
InChIInChI=1S/C14H26N4/c1-3-5-12(7-8-15)10-16-14-9-13(6-4-2)17-11-18-14/h9,11-12H,3-8,10,15H2,1-2H3,(H,16,17,18)
InChIKeyVZONRVGYDHMJBW-UHFFFAOYSA-N
XLogP2.61
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-aminoethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704110
N-(2-methylbutyl)-6-propylpyrimidin-4-amine
CID 62694370
1-N-(6-propylpyrimidin-4-yl)butane-1,3-diamine
CID 63251185
3-[[(6-chloropyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106116854
6-ethyl-N-(2-ethylhexyl)pyrimidin-4-amine
CID 107816361
N-(5,6-dimethylpyrazin-2-yl)-2-propylbutane-1,4-diamine
CID 106116504
N-ethyl-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine
CID 61241880
N-octan-4-yl-6-propylpyrimidin-4-amine
CID 106026552
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
N-(5-methylhexan-2-yl)-6-propylpyrimidin-4-amine
CID 63926924
3-amino-4-[(6-ethylpyrimidin-4-yl)amino]butan-2-ol
CID 64539805

Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-(6-propylpyrimidin-4-yl)butane-1,4-diamine?
The IUPAC name of 2-propyl-N-(6-propylpyrimidin-4-yl)butane-1,4-diamine (CID 106116522) is 2-propyl-N-(6-propylpyrimidin-4-yl)butane-1,4-diamine.
What is the SMILES notation for 2-propyl-N-(6-propylpyrimidin-4-yl)butane-1,4-diamine?
The canonical SMILES for 2-propyl-N-(6-propylpyrimidin-4-yl)butane-1,4-diamine is CCCc1cc(NCC(CCC)CCN)ncn1.
What is the InChIKey of 2-propyl-N-(6-propylpyrimidin-4-yl)butane-1,4-diamine?
The InChIKey is VZONRVGYDHMJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-3-5-12(7-8-15)10-16-14-9-13(6-4-2)17-11-18-14/h9,11-12H,3-8,10,15H2,1-2H3,(H,16,17,18).
What are the key properties of 2-propyl-N-(6-propylpyrimidin-4-yl)butane-1,4-diamine?
2-propyl-N-(6-propylpyrimidin-4-yl)butane-1,4-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-(6-propylpyrimidin-4-yl)butane-1,4-diamine is sourced from PubChem (CID 106116522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).