3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4-methylpentane-1,3-diamine

C13H24N4 — CID 106357683

IUPAC3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4-methylpentane-1,3-diamine
SMILESCCc1cc(NC(CCN)C(C)C)nc(C)n1
InChIInChI=1S/C13H24N4/c1-5-11-8-13(16-10(4)15-11)17-12(6-7-14)9(2)3/h8-9,12H,5-7,14H2,1-4H3,(H,15,16,17)
InChIKeyLVHZIUGOJGUPOE-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.13
Rot. Bonds6

About 3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4-methylpentane-1,3-diamine

3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4-methylpentane-1,3-diamine (PubChem CID 106357683) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4-methylpentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4-methylpentane-1,3-diamine
PubChem CID106357683
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4-methylpentane-1,3-diamine
SMILESCCc1cc(NC(CCN)C(C)C)nc(C)n1
InChIInChI=1S/C13H24N4/c1-5-11-8-13(16-10(4)15-11)17-12(6-7-14)9(2)3/h8-9,12H,5-7,14H2,1-4H3,(H,15,16,17)
InChIKeyLVHZIUGOJGUPOE-UHFFFAOYSA-N
XLogP2.13
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine
CID 106357883
2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3,3-dimethylbutane-1,2-diamine
CID 114208177
3-[(2,6-dimethylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 103703947
4-methyl-3-N-(6-methylpyrimidin-4-yl)pentane-1,3-diamine
CID 106357708
4-methyl-3-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine
CID 106357572
N-(1-chloro-4,4-dimethylpentan-3-yl)-6-ethyl-2-methylpyrimidin-4-amine
CID 106354467
2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3-methoxypropane-1,2-diamine
CID 106181686
N,6-diethyl-2-methylpyrimidin-4-amine
CID 62191281
2-N-(6-ethyl-2-methylpyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine
CID 113284109
3-[(6-bromo-2-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106352561
1-(3,4-difluorophenyl)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propan-1-ol
CID 133461614
3-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,3-diamine
CID 106357544

Frequently Asked Questions

What is the IUPAC name of 3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4-methylpentane-1,3-diamine?
The IUPAC name of 3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4-methylpentane-1,3-diamine (CID 106357683) is 3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4-methylpentane-1,3-diamine.
What is the SMILES notation for 3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4-methylpentane-1,3-diamine?
The canonical SMILES for 3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4-methylpentane-1,3-diamine is CCc1cc(NC(CCN)C(C)C)nc(C)n1.
What is the InChIKey of 3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4-methylpentane-1,3-diamine?
The InChIKey is LVHZIUGOJGUPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-5-11-8-13(16-10(4)15-11)17-12(6-7-14)9(2)3/h8-9,12H,5-7,14H2,1-4H3,(H,15,16,17).
What are the key properties of 3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4-methylpentane-1,3-diamine?
3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4-methylpentane-1,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4-methylpentane-1,3-diamine is sourced from PubChem (CID 106357683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).