4-methyl-3-N-(6-methylpyrimidin-4-yl)pentane-1,3-diamine

C11H20N4 — CID 106357708

IUPAC4-methyl-3-N-(6-methylpyrimidin-4-yl)pentane-1,3-diamine
SMILESCc1cc(NC(CCN)C(C)C)ncn1
InChIInChI=1S/C11H20N4/c1-8(2)10(4-5-12)15-11-6-9(3)13-7-14-11/h6-8,10H,4-5,12H2,1-3H3,(H,13,14,15)
InChIKeyGTKXIDOGWTXDRD-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.57
Rot. Bonds5

About 4-methyl-3-N-(6-methylpyrimidin-4-yl)pentane-1,3-diamine

4-methyl-3-N-(6-methylpyrimidin-4-yl)pentane-1,3-diamine (PubChem CID 106357708) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-methyl-3-N-(6-methylpyrimidin-4-yl)pentane-1,3-diamine.

Molecular Properties

Compound Name4-methyl-3-N-(6-methylpyrimidin-4-yl)pentane-1,3-diamine
PubChem CID106357708
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name4-methyl-3-N-(6-methylpyrimidin-4-yl)pentane-1,3-diamine
SMILESCc1cc(NC(CCN)C(C)C)ncn1
InChIInChI=1S/C11H20N4/c1-8(2)10(4-5-12)15-11-6-9(3)13-7-14-11/h6-8,10H,4-5,12H2,1-3H3,(H,13,14,15)
InChIKeyGTKXIDOGWTXDRD-UHFFFAOYSA-N
XLogP1.57
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,3-diamine
CID 106357544
6-methyl-N-(3-methylbutan-2-yl)pyrimidin-4-amine
CID 61225499
6-methyl-N-propan-2-ylpyrimidin-4-amine
CID 61225495
N-(5,5-dimethylhexan-2-yl)-6-methylpyrimidin-4-amine
CID 133311807
4-methyl-3-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine
CID 106357572
3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4-methylpentane-1,3-diamine
CID 106357683
(2S)-2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 56708033
N-but-3-en-2-yl-6-methylpyrimidin-4-amine
CID 115691966
3-N-(3-bromo-5-methyl-2-pyridinyl)-4-methylpentane-1,3-diamine
CID 106357664
1-cyclohexyl-N-(6-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 113283795
4-methyl-3-N-quinazolin-4-ylpentane-1,3-diamine
CID 114178266
6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine
CID 102609023

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-N-(6-methylpyrimidin-4-yl)pentane-1,3-diamine?
The IUPAC name of 4-methyl-3-N-(6-methylpyrimidin-4-yl)pentane-1,3-diamine (CID 106357708) is 4-methyl-3-N-(6-methylpyrimidin-4-yl)pentane-1,3-diamine.
What is the SMILES notation for 4-methyl-3-N-(6-methylpyrimidin-4-yl)pentane-1,3-diamine?
The canonical SMILES for 4-methyl-3-N-(6-methylpyrimidin-4-yl)pentane-1,3-diamine is Cc1cc(NC(CCN)C(C)C)ncn1.
What is the InChIKey of 4-methyl-3-N-(6-methylpyrimidin-4-yl)pentane-1,3-diamine?
The InChIKey is GTKXIDOGWTXDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-8(2)10(4-5-12)15-11-6-9(3)13-7-14-11/h6-8,10H,4-5,12H2,1-3H3,(H,13,14,15).
What are the key properties of 4-methyl-3-N-(6-methylpyrimidin-4-yl)pentane-1,3-diamine?
4-methyl-3-N-(6-methylpyrimidin-4-yl)pentane-1,3-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-N-(6-methylpyrimidin-4-yl)pentane-1,3-diamine is sourced from PubChem (CID 106357708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).