3-methyl-1-N-(4-methylpyrimidin-2-yl)butane-1,3-diamine

C10H18N4 — CID 117044287

IUPAC3-methyl-1-N-(4-methylpyrimidin-2-yl)butane-1,3-diamine
SMILESCc1ccnc(NCCC(C)(C)N)n1
InChIInChI=1S/C10H18N4/c1-8-4-6-12-9(14-8)13-7-5-10(2,3)11/h4,6H,5,7,11H2,1-3H3,(H,12,13,14)
InChIKeyXLOWTHQLEFRCOW-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.32
Rot. Bonds4

About 3-methyl-1-N-(4-methylpyrimidin-2-yl)butane-1,3-diamine

3-methyl-1-N-(4-methylpyrimidin-2-yl)butane-1,3-diamine (PubChem CID 117044287) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-methyl-1-N-(4-methylpyrimidin-2-yl)butane-1,3-diamine.

Molecular Properties

Compound Name3-methyl-1-N-(4-methylpyrimidin-2-yl)butane-1,3-diamine
PubChem CID117044287
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name3-methyl-1-N-(4-methylpyrimidin-2-yl)butane-1,3-diamine
SMILESCc1ccnc(NCCC(C)(C)N)n1
InChIInChI=1S/C10H18N4/c1-8-4-6-12-9(14-8)13-7-5-10(2,3)11/h4,6H,5,7,11H2,1-3H3,(H,12,13,14)
InChIKeyXLOWTHQLEFRCOW-UHFFFAOYSA-N
XLogP1.32
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoropropyl)-4-methylpyrimidin-2-amine
CID 130504329
4-methyl-N-octylpyrimidin-2-amine
CID 115568939
N-(2-tert-butylsulfinylethyl)-4-methylpyrimidin-2-amine
CID 133304625
N-(3-fluorobutyl)-4-methylpyrimidin-2-amine
CID 130637741
4-methyl-N-[(E)-pent-3-enyl]pyrimidin-2-amine
CID 115637231
4-methyl-N-pent-3-ynylpyrimidin-2-amine
CID 116644591
N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-4-methylpyrimidin-2-amine
CID 133415137
N-[3-(2-aminoethoxy)propyl]-4-methylpyrimidin-2-amine
CID 106308364
N-(2-methoxy-2-methylpropyl)-4-methylpyrimidin-2-amine
CID 115658471
4-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine
CID 62958220
N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 55152107
4-methyl-N-(3-propoxypropyl)pyrimidin-2-amine
CID 82944082

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-N-(4-methylpyrimidin-2-yl)butane-1,3-diamine?
The IUPAC name of 3-methyl-1-N-(4-methylpyrimidin-2-yl)butane-1,3-diamine (CID 117044287) is 3-methyl-1-N-(4-methylpyrimidin-2-yl)butane-1,3-diamine.
What is the SMILES notation for 3-methyl-1-N-(4-methylpyrimidin-2-yl)butane-1,3-diamine?
The canonical SMILES for 3-methyl-1-N-(4-methylpyrimidin-2-yl)butane-1,3-diamine is Cc1ccnc(NCCC(C)(C)N)n1.
What is the InChIKey of 3-methyl-1-N-(4-methylpyrimidin-2-yl)butane-1,3-diamine?
The InChIKey is XLOWTHQLEFRCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-8-4-6-12-9(14-8)13-7-5-10(2,3)11/h4,6H,5,7,11H2,1-3H3,(H,12,13,14).
What are the key properties of 3-methyl-1-N-(4-methylpyrimidin-2-yl)butane-1,3-diamine?
3-methyl-1-N-(4-methylpyrimidin-2-yl)butane-1,3-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-N-(4-methylpyrimidin-2-yl)butane-1,3-diamine is sourced from PubChem (CID 117044287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).