1-N-(5-chloropyrimidin-2-yl)-2-ethylbutane-1,2-diamine

C10H17ClN4 — CID 115306111

IUPAC1-N-(5-chloropyrimidin-2-yl)-2-ethylbutane-1,2-diamine
SMILESCCC(N)(CC)CNc1ncc(Cl)cn1
InChIInChI=1S/C10H17ClN4/c1-3-10(12,4-2)7-15-9-13-5-8(11)6-14-9/h5-6H,3-4,7,12H2,1-2H3,(H,13,14,15)
InChIKeyRYEKLSWRBURRIM-UHFFFAOYSA-N
MW228.73 g/mol
LogP2.06
Rot. Bonds5

About 1-N-(5-chloropyrimidin-2-yl)-2-ethylbutane-1,2-diamine

1-N-(5-chloropyrimidin-2-yl)-2-ethylbutane-1,2-diamine (PubChem CID 115306111) has the molecular formula C10H17ClN4 and a molecular weight of 228.73 g/mol. Its IUPAC name is 1-N-(5-chloropyrimidin-2-yl)-2-ethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-chloropyrimidin-2-yl)-2-ethylbutane-1,2-diamine
PubChem CID115306111
Molecular FormulaC10H17ClN4
Molecular Weight228.73 g/mol
Exact Mass228.11
IUPAC Name1-N-(5-chloropyrimidin-2-yl)-2-ethylbutane-1,2-diamine
SMILESCCC(N)(CC)CNc1ncc(Cl)cn1
InChIInChI=1S/C10H17ClN4/c1-3-10(12,4-2)7-15-9-13-5-8(11)6-14-9/h5-6H,3-4,7,12H2,1-2H3,(H,13,14,15)
InChIKeyRYEKLSWRBURRIM-UHFFFAOYSA-N
XLogP2.06
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(5-chloropyrimidin-2-yl)-2-ethylbutane-1,2-diamine?
The IUPAC name of 1-N-(5-chloropyrimidin-2-yl)-2-ethylbutane-1,2-diamine (CID 115306111) is 1-N-(5-chloropyrimidin-2-yl)-2-ethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-(5-chloropyrimidin-2-yl)-2-ethylbutane-1,2-diamine?
The canonical SMILES for 1-N-(5-chloropyrimidin-2-yl)-2-ethylbutane-1,2-diamine is CCC(N)(CC)CNc1ncc(Cl)cn1.
What is the InChIKey of 1-N-(5-chloropyrimidin-2-yl)-2-ethylbutane-1,2-diamine?
The InChIKey is RYEKLSWRBURRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4/c1-3-10(12,4-2)7-15-9-13-5-8(11)6-14-9/h5-6H,3-4,7,12H2,1-2H3,(H,13,14,15).
What are the key properties of 1-N-(5-chloropyrimidin-2-yl)-2-ethylbutane-1,2-diamine?
1-N-(5-chloropyrimidin-2-yl)-2-ethylbutane-1,2-diamine has a molecular weight of 228.73 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-chloropyrimidin-2-yl)-2-ethylbutane-1,2-diamine is sourced from PubChem (CID 115306111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).