1-N-(5-ethylpyrimidin-2-yl)butane-1,3-diamine

C10H18N4 — CID 116974540

IUPAC1-N-(5-ethylpyrimidin-2-yl)butane-1,3-diamine
SMILESCCc1cnc(NCCC(C)N)nc1
InChIInChI=1S/C10H18N4/c1-3-9-6-13-10(14-7-9)12-5-4-8(2)11/h6-8H,3-5,11H2,1-2H3,(H,12,13,14)
InChIKeyGUTOIAQUIVUJAK-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.19
Rot. Bonds5

About 1-N-(5-ethylpyrimidin-2-yl)butane-1,3-diamine

1-N-(5-ethylpyrimidin-2-yl)butane-1,3-diamine (PubChem CID 116974540) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-N-(5-ethylpyrimidin-2-yl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N-(5-ethylpyrimidin-2-yl)butane-1,3-diamine
PubChem CID116974540
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-N-(5-ethylpyrimidin-2-yl)butane-1,3-diamine
SMILESCCc1cnc(NCCC(C)N)nc1
InChIInChI=1S/C10H18N4/c1-3-9-6-13-10(14-7-9)12-5-4-8(2)11/h6-8H,3-5,11H2,1-2H3,(H,12,13,14)
InChIKeyGUTOIAQUIVUJAK-UHFFFAOYSA-N
XLogP1.19
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(5-ethylpyrimidin-2-yl)butane-1,3-diamine?
The IUPAC name of 1-N-(5-ethylpyrimidin-2-yl)butane-1,3-diamine (CID 116974540) is 1-N-(5-ethylpyrimidin-2-yl)butane-1,3-diamine.
What is the SMILES notation for 1-N-(5-ethylpyrimidin-2-yl)butane-1,3-diamine?
The canonical SMILES for 1-N-(5-ethylpyrimidin-2-yl)butane-1,3-diamine is CCc1cnc(NCCC(C)N)nc1.
What is the InChIKey of 1-N-(5-ethylpyrimidin-2-yl)butane-1,3-diamine?
The InChIKey is GUTOIAQUIVUJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-3-9-6-13-10(14-7-9)12-5-4-8(2)11/h6-8H,3-5,11H2,1-2H3,(H,12,13,14).
What are the key properties of 1-N-(5-ethylpyrimidin-2-yl)butane-1,3-diamine?
1-N-(5-ethylpyrimidin-2-yl)butane-1,3-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-ethylpyrimidin-2-yl)butane-1,3-diamine is sourced from PubChem (CID 116974540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).