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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Related Compounds

N'-(4,6-dimethoxypyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine
CID 115355774
N'-(1,2,4-benzotriazin-3-yl)-N'-pentan-3-ylethane-1,2-diamine
CID 103205202
2-[(5-bromopyrimidin-2-yl)-pentan-3-ylamino]ethanol
CID 55251383
N'-pentan-3-yl-N'-pyridin-4-ylethane-1,2-diamine
CID 63760008
N'-pentan-3-yl-N'-pyrimidin-4-ylethane-1,2-diamine
CID 63759066
N-(2-bromoethyl)-N-pentan-3-ylpyrimidin-2-amine
CID 80680520
2-N-methyl-2-N-(5-methylpyrimidin-2-yl)propane-1,2-diamine
CID 104556690
2-N-(2-methylpropyl)-2-N-pentan-3-ylpyrimidine-2,5-diamine
CID 79483689
N'-(5-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
CID 62587286
5-(chloromethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-2-amine
CID 113387964
3-[2-aminoethyl(pentan-3-yl)amino]-1-tert-butylpyrazin-2-one
CID 63761014
3-[2-aminoethyl(pentan-3-yl)amino]-1-propylpyrazin-2-one
CID 63760807

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).