1-N-(5-ethylpyrimidin-2-yl)-1-N-methylpropane-1,2-diamine

C10H18N4 — CID 116977344

IUPAC1-N-(5-ethylpyrimidin-2-yl)-1-N-methylpropane-1,2-diamine
SMILESCCc1cnc(N(C)CC(C)N)nc1
InChIInChI=1S/C10H18N4/c1-4-9-5-12-10(13-6-9)14(3)7-8(2)11/h5-6,8H,4,7,11H2,1-3H3
InChIKeyJRWBFAIKJYYWJC-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.82
Rot. Bonds4

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

1-N-(5-ethylpyrimidin-2-yl)-1-N-methylpropane-1,2-diamine (PubChem CID 116977344) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-N-(5-ethylpyrimidin-2-yl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-ethylpyrimidin-2-yl)-1-N-methylpropane-1,2-diamine
PubChem CID116977344
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-N-(5-ethylpyrimidin-2-yl)-1-N-methylpropane-1,2-diamine
SMILESCCc1cnc(N(C)CC(C)N)nc1
InChIInChI=1S/C10H18N4/c1-4-9-5-12-10(13-6-9)14(3)7-8(2)11/h5-6,8H,4,7,11H2,1-3H3
InChIKeyJRWBFAIKJYYWJC-UHFFFAOYSA-N
XLogP0.82
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(5-ethylpyrimidin-2-yl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(5-ethylpyrimidin-2-yl)-1-N-methylpropane-1,2-diamine (CID 116977344) is 1-N-(5-ethylpyrimidin-2-yl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(5-ethylpyrimidin-2-yl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(5-ethylpyrimidin-2-yl)-1-N-methylpropane-1,2-diamine is CCc1cnc(N(C)CC(C)N)nc1.
What is the InChIKey of 1-N-(5-ethylpyrimidin-2-yl)-1-N-methylpropane-1,2-diamine?
The InChIKey is JRWBFAIKJYYWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-4-9-5-12-10(13-6-9)14(3)7-8(2)11/h5-6,8H,4,7,11H2,1-3H3.
What are the key properties of 1-N-(5-ethylpyrimidin-2-yl)-1-N-methylpropane-1,2-diamine?
1-N-(5-ethylpyrimidin-2-yl)-1-N-methylpropane-1,2-diamine has a molecular weight of 194.28 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-ethylpyrimidin-2-yl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 116977344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).