N'-(4,6-dimethylpyrimidin-2-yl)-N-[[2-(methylamino)pyrimidin-5-yl]methyl]ethane-1,2-diamine

C14H21N7 — CID 102536553

IUPACN'-(4,6-dimethylpyrimidin-2-yl)-N-[[2-(methylamino)pyrimidin-5-yl]methyl]ethane-1,2-diamine
SMILESCNc1ncc(CNCCNc2nc(C)cc(C)n2)cn1
InChIInChI=1S/C14H21N7/c1-10-6-11(2)21-14(20-10)17-5-4-16-7-12-8-18-13(15-3)19-9-12/h6,8-9,16H,4-5,7H2,1-3H3,(H,15,18,19)(H,17,20,21)
InChIKeyUQAYPDYAEXXYBN-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.13
Rot. Bonds7

About N'-(4,6-dimethylpyrimidin-2-yl)-N-[[2-(methylamino)pyrimidin-5-yl]methyl]ethane-1,2-diamine

N'-(4,6-dimethylpyrimidin-2-yl)-N-[[2-(methylamino)pyrimidin-5-yl]methyl]ethane-1,2-diamine (PubChem CID 102536553) has the molecular formula C14H21N7 and a molecular weight of 287.37 g/mol. Its IUPAC name is N'-(4,6-dimethylpyrimidin-2-yl)-N-[[2-(methylamino)pyrimidin-5-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4,6-dimethylpyrimidin-2-yl)-N-[[2-(methylamino)pyrimidin-5-yl]methyl]ethane-1,2-diamine
PubChem CID102536553
Molecular FormulaC14H21N7
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC NameN'-(4,6-dimethylpyrimidin-2-yl)-N-[[2-(methylamino)pyrimidin-5-yl]methyl]ethane-1,2-diamine
SMILESCNc1ncc(CNCCNc2nc(C)cc(C)n2)cn1
InChIInChI=1S/C14H21N7/c1-10-6-11(2)21-14(20-10)17-5-4-16-7-12-8-18-13(15-3)19-9-12/h6,8-9,16H,4-5,7H2,1-3H3,(H,15,18,19)(H,17,20,21)
InChIKeyUQAYPDYAEXXYBN-UHFFFAOYSA-N
XLogP1.13
TPSA87.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine
CID 102536498
N'-(4,6-dimethylpyrimidin-2-yl)-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine
CID 102536508
1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethylamino]propan-2-ol
CID 104594461
N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylethane-1,2-diamine
CID 112634830
N-methyl-5-[(3-pyridin-2-yloxypropylamino)methyl]pyrimidin-2-amine
CID 102536227
5-[[2-(2-methoxyphenyl)ethylamino]methyl]-N-methylpyrimidin-2-amine
CID 102536210
N-[(2-methylpyrimidin-5-yl)methyl]propan-1-amine
CID 60976157
N-ethyl-5-(ethylaminomethyl)pyrimidin-2-amine
CID 102536247
N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylpropyl)propane-1,3-diamine
CID 102536542
4,6-dimethyl-N-(2-methylsulfinylethyl)pyrimidin-2-amine
CID 115631573
N'-(4,6-dimethylpyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 75409343
4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80852205

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-N-[[2-(methylamino)pyrimidin-5-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-N-[[2-(methylamino)pyrimidin-5-yl]methyl]ethane-1,2-diamine (CID 102536553) is N'-(4,6-dimethylpyrimidin-2-yl)-N-[[2-(methylamino)pyrimidin-5-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(4,6-dimethylpyrimidin-2-yl)-N-[[2-(methylamino)pyrimidin-5-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-(4,6-dimethylpyrimidin-2-yl)-N-[[2-(methylamino)pyrimidin-5-yl]methyl]ethane-1,2-diamine is CNc1ncc(CNCCNc2nc(C)cc(C)n2)cn1.
What is the InChIKey of N'-(4,6-dimethylpyrimidin-2-yl)-N-[[2-(methylamino)pyrimidin-5-yl]methyl]ethane-1,2-diamine?
The InChIKey is UQAYPDYAEXXYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7/c1-10-6-11(2)21-14(20-10)17-5-4-16-7-12-8-18-13(15-3)19-9-12/h6,8-9,16H,4-5,7H2,1-3H3,(H,15,18,19)(H,17,20,21).
What are the key properties of N'-(4,6-dimethylpyrimidin-2-yl)-N-[[2-(methylamino)pyrimidin-5-yl]methyl]ethane-1,2-diamine?
N'-(4,6-dimethylpyrimidin-2-yl)-N-[[2-(methylamino)pyrimidin-5-yl]methyl]ethane-1,2-diamine has a molecular weight of 287.37 g/mol, XLogP of 1.13, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethylpyrimidin-2-yl)-N-[[2-(methylamino)pyrimidin-5-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 102536553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).