N'-(5-methylpyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine

C12H22N4 — CID 63759067

IUPACN'-(5-methylpyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CCN)c1ncc(C)cn1
InChIInChI=1S/C12H22N4/c1-4-11(5-2)16(7-6-13)12-14-8-10(3)9-15-12/h8-9,11H,4-7,13H2,1-3H3
InChIKeyDEFJZXGJGXPIIW-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.74
Rot. Bonds6

About N'-(5-methylpyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine

N'-(5-methylpyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine (PubChem CID 63759067) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N'-(5-methylpyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-methylpyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine
PubChem CID63759067
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN'-(5-methylpyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CCN)c1ncc(C)cn1
InChIInChI=1S/C12H22N4/c1-4-11(5-2)16(7-6-13)12-14-8-10(3)9-15-12/h8-9,11H,4-7,13H2,1-3H3
InChIKeyDEFJZXGJGXPIIW-UHFFFAOYSA-N
XLogP1.74
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(5-methylpyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine?
The IUPAC name of N'-(5-methylpyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine (CID 63759067) is N'-(5-methylpyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine.
What is the SMILES notation for N'-(5-methylpyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine?
The canonical SMILES for N'-(5-methylpyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine is CCC(CC)N(CCN)c1ncc(C)cn1.
What is the InChIKey of N'-(5-methylpyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine?
The InChIKey is DEFJZXGJGXPIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-4-11(5-2)16(7-6-13)12-14-8-10(3)9-15-12/h8-9,11H,4-7,13H2,1-3H3.
What are the key properties of N'-(5-methylpyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine?
N'-(5-methylpyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methylpyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine is sourced from PubChem (CID 63759067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).