N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylpropyl)propane-1,3-diamine

C13H24N4 — CID 102536542

IUPACN'-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylpropyl)propane-1,3-diamine
SMILESCc1cc(C)nc(NCCCNCC(C)C)n1
InChIInChI=1S/C13H24N4/c1-10(2)9-14-6-5-7-15-13-16-11(3)8-12(4)17-13/h8,10,14H,5-7,9H2,1-4H3,(H,15,16,17)
InChIKeyGDELQNXRLDJICF-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.14
Rot. Bonds7

About N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylpropyl)propane-1,3-diamine

N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylpropyl)propane-1,3-diamine (PubChem CID 102536542) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylpropyl)propane-1,3-diamine
PubChem CID102536542
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN'-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylpropyl)propane-1,3-diamine
SMILESCc1cc(C)nc(NCCCNCC(C)C)n1
InChIInChI=1S/C13H24N4/c1-10(2)9-14-6-5-7-15-13-16-11(3)8-12(4)17-13/h8,10,14H,5-7,9H2,1-4H3,(H,15,16,17)
InChIKeyGDELQNXRLDJICF-UHFFFAOYSA-N
XLogP2.14
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethylamino]propan-2-ol
CID 104594461
1-[(4,6-dimethylpyrimidin-2-yl)amino]propan-2-ol
CID 43395852
4,6-dimethyl-N-(2,3,3-trimethylbutyl)pyrimidin-2-amine
CID 78966867
4,6-dimethyl-N-(2-methylbutyl)pyrimidin-2-amine
CID 62694170
N-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine
CID 504351
4,6-dimethyl-N-(2-methylsulfanylpropyl)pyrimidin-2-amine
CID 115774265
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methylpropan-1-ol
CID 61362808
tert-butyl N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propyl]carbamate
CID 115611755
4,6-dimethyl-N-(3-methylsulfinylbutyl)pyrimidin-2-amine
CID 115715766
4-methyl-6-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine
CID 107765913
4-N-tert-butyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112924628
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908502

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylpropyl)propane-1,3-diamine (CID 102536542) is N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylpropyl)propane-1,3-diamine is Cc1cc(C)nc(NCCCNCC(C)C)n1.
What is the InChIKey of N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is GDELQNXRLDJICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-10(2)9-14-6-5-7-15-13-16-11(3)8-12(4)17-13/h8,10,14H,5-7,9H2,1-4H3,(H,15,16,17).
What are the key properties of N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylpropyl)propane-1,3-diamine?
N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 102536542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).