2-N-ethyl-1-N,1-N-dimethyl-2-N-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]propane-1,2-diamine

C14H27N5 — CID 103191189

IUPAC2-N-ethyl-1-N,1-N-dimethyl-2-N-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]propane-1,2-diamine
SMILESCCN(Cc1nc(C)cc(NC)n1)C(C)CN(C)C
InChIInChI=1S/C14H27N5/c1-7-19(12(3)9-18(5)6)10-14-16-11(2)8-13(15-4)17-14/h8,12H,7,9-10H2,1-6H3,(H,15,16,17)
InChIKeyIFBYVJJQQKMJNV-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.60
Rot. Bonds7

About 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]propane-1,2-diamine

2-N-ethyl-1-N,1-N-dimethyl-2-N-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]propane-1,2-diamine (PubChem CID 103191189) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N,1-N-dimethyl-2-N-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]propane-1,2-diamine
PubChem CID103191189
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name2-N-ethyl-1-N,1-N-dimethyl-2-N-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]propane-1,2-diamine
SMILESCCN(Cc1nc(C)cc(NC)n1)C(C)CN(C)C
InChIInChI=1S/C14H27N5/c1-7-19(12(3)9-18(5)6)10-14-16-11(2)8-13(15-4)17-14/h8,12H,7,9-10H2,1-6H3,(H,15,16,17)
InChIKeyIFBYVJJQQKMJNV-UHFFFAOYSA-N
XLogP1.60
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[butan-2-yl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine
CID 80657236
N,N,N'-trimethyl-N'-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]ethane-1,2-diamine
CID 80657292
2-ethyl-N,6-dimethylpyrimidin-4-amine
CID 62192654
N,2-dimethyl-3-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]propanamide
CID 106917983
2-[[cyclopentyl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine
CID 80657640
2-[(dimethylamino)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 79089446
N-ethyl-2-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]acetamide
CID 80657553
N,N-dimethyl-2-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]acetamide
CID 80657741
2-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl-propylamino]ethanol
CID 80658221
2-[(4-fluoro-N-methylanilino)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80657940
2-[(N-ethyl-3-fluoroanilino)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80657942
N,6-dimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyrimidin-4-amine
CID 80657330

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]propane-1,2-diamine (CID 103191189) is 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]propane-1,2-diamine is CCN(Cc1nc(C)cc(NC)n1)C(C)CN(C)C.
What is the InChIKey of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]propane-1,2-diamine?
The InChIKey is IFBYVJJQQKMJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-7-19(12(3)9-18(5)6)10-14-16-11(2)8-13(15-4)17-14/h8,12H,7,9-10H2,1-6H3,(H,15,16,17).
What are the key properties of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]propane-1,2-diamine?
2-N-ethyl-1-N,1-N-dimethyl-2-N-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]propane-1,2-diamine has a molecular weight of 265.40 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N,1-N-dimethyl-2-N-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]propane-1,2-diamine is sourced from PubChem (CID 103191189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).