2-N-(6-ethylpyrimidin-4-yl)-2-N-methylpropane-1,2-diamine

C10H18N4 — CID 83830823

IUPAC2-N-(6-ethylpyrimidin-4-yl)-2-N-methylpropane-1,2-diamine
SMILESCCc1cc(N(C)C(C)CN)ncn1
InChIInChI=1S/C10H18N4/c1-4-9-5-10(13-7-12-9)14(3)8(2)6-11/h5,7-8H,4,6,11H2,1-3H3
InChIKeyIBINVKXPFQRGQR-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.82
Rot. Bonds4

About 2-N-(6-ethylpyrimidin-4-yl)-2-N-methylpropane-1,2-diamine

2-N-(6-ethylpyrimidin-4-yl)-2-N-methylpropane-1,2-diamine (PubChem CID 83830823) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-N-(6-ethylpyrimidin-4-yl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(6-ethylpyrimidin-4-yl)-2-N-methylpropane-1,2-diamine
PubChem CID83830823
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-N-(6-ethylpyrimidin-4-yl)-2-N-methylpropane-1,2-diamine
SMILESCCc1cc(N(C)C(C)CN)ncn1
InChIInChI=1S/C10H18N4/c1-4-9-5-10(13-7-12-9)14(3)8(2)6-11/h5,7-8H,4,6,11H2,1-3H3
InChIKeyIBINVKXPFQRGQR-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 2-N-(6-ethylpyrimidin-4-yl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(6-ethylpyrimidin-4-yl)-2-N-methylpropane-1,2-diamine (CID 83830823) is 2-N-(6-ethylpyrimidin-4-yl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(6-ethylpyrimidin-4-yl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(6-ethylpyrimidin-4-yl)-2-N-methylpropane-1,2-diamine is CCc1cc(N(C)C(C)CN)ncn1.
What is the InChIKey of 2-N-(6-ethylpyrimidin-4-yl)-2-N-methylpropane-1,2-diamine?
The InChIKey is IBINVKXPFQRGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-4-9-5-10(13-7-12-9)14(3)8(2)6-11/h5,7-8H,4,6,11H2,1-3H3.
What are the key properties of 2-N-(6-ethylpyrimidin-4-yl)-2-N-methylpropane-1,2-diamine?
2-N-(6-ethylpyrimidin-4-yl)-2-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 2-N-(6-ethylpyrimidin-4-yl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 83830823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).