N'-butyl-N'-methyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine

C12H22N4 — CID 133309962

IUPACN'-butyl-N'-methyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine
SMILESCCCCN(C)CCNc1nccc(C)n1
InChIInChI=1S/C12H22N4/c1-4-5-9-16(3)10-8-14-12-13-7-6-11(2)15-12/h6-7H,4-5,8-10H2,1-3H3,(H,13,14,15)
InChIKeyBKAOJZMAOSPBNC-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.93
Rot. Bonds7

About N'-butyl-N'-methyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine

N'-butyl-N'-methyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine (PubChem CID 133309962) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N'-butyl-N'-methyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butyl-N'-methyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine
PubChem CID133309962
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN'-butyl-N'-methyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine
SMILESCCCCN(C)CCNc1nccc(C)n1
InChIInChI=1S/C12H22N4/c1-4-5-9-16(3)10-8-14-12-13-7-6-11(2)15-12/h6-7H,4-5,8-10H2,1-3H3,(H,13,14,15)
InChIKeyBKAOJZMAOSPBNC-UHFFFAOYSA-N
XLogP1.93
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-octylpyrimidin-2-amine
CID 115568939
4-methyl-N-(3-propoxypropyl)pyrimidin-2-amine
CID 82944082
N-(3-fluoropropyl)-4-methylpyrimidin-2-amine
CID 130504329
3-methyl-1-N-(4-methylpyrimidin-2-yl)butane-1,3-diamine
CID 117044287
4-methyl-N-[(E)-pent-3-enyl]pyrimidin-2-amine
CID 115637231
N-(3-fluorobutyl)-4-methylpyrimidin-2-amine
CID 130637741
4-methyl-N-pent-3-ynylpyrimidin-2-amine
CID 116644591
2-[2-[ethyl(methyl)amino]ethylamino]pyrimidine-4-carbothioamide
CID 107547316
N-[3-(2-aminoethoxy)propyl]-4-methylpyrimidin-2-amine
CID 106308364
N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-methyl-N'-(3-phenylpropyl)ethane-1,2-diamine
CID 66903731
2-N-[3-(dimethylamino)propyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112887794
N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine
CID 62960707

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-methyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-butyl-N'-methyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine (CID 133309962) is N'-butyl-N'-methyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-butyl-N'-methyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-butyl-N'-methyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine is CCCCN(C)CCNc1nccc(C)n1.
What is the InChIKey of N'-butyl-N'-methyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine?
The InChIKey is BKAOJZMAOSPBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-4-5-9-16(3)10-8-14-12-13-7-6-11(2)15-12/h6-7H,4-5,8-10H2,1-3H3,(H,13,14,15).
What are the key properties of N'-butyl-N'-methyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine?
N'-butyl-N'-methyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-methyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 133309962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).