2-ethyl-6-N,5-dimethyl-4-N-[(4-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine

C15H21N5 — CID 114957898

IUPAC2-ethyl-6-N,5-dimethyl-4-N-[(4-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(NCc2cnccc2C)n1
InChIInChI=1S/C15H21N5/c1-5-13-19-14(16-4)11(3)15(20-13)18-9-12-8-17-7-6-10(12)2/h6-8H,5,9H2,1-4H3,(H2,16,18,19,20)
InChIKeyLJQQTQBLWZPJDD-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.70
Rot. Bonds5

About 2-ethyl-6-N,5-dimethyl-4-N-[(4-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine

2-ethyl-6-N,5-dimethyl-4-N-[(4-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine (PubChem CID 114957898) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-ethyl-6-N,5-dimethyl-4-N-[(4-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-6-N,5-dimethyl-4-N-[(4-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine
PubChem CID114957898
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name2-ethyl-6-N,5-dimethyl-4-N-[(4-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(NCc2cnccc2C)n1
InChIInChI=1S/C15H21N5/c1-5-13-19-14(16-4)11(3)15(20-13)18-9-12-8-17-7-6-10(12)2/h6-8H,5,9H2,1-4H3,(H2,16,18,19,20)
InChIKeyLJQQTQBLWZPJDD-UHFFFAOYSA-N
XLogP2.70
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-6-N,5-dimethyl-4-N-[(4-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine with MolForge

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Related Compounds

6-N,2,5-trimethyl-4-N-[(3-methyl-4-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 114702231
6-chloro-5-methyl-N-[(4-methyl-3-pyridinyl)methyl]-2-propylpyrimidin-4-amine
CID 114957215
6-hydrazinyl-2,5-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 114958033
2-ethyl-6-N,5-dimethyl-4-N-[(4-methylthiophen-3-yl)methyl]pyrimidine-4,6-diamine
CID 80992974
2-ethyl-6-N,5-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80987116
6-N,2-diethyl-5-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80985830
2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80982081
6-N-methyl-4-N-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 114957948
2-ethyl-6-N,5-dimethyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,6-diamine
CID 106378623
3,5-dichloro-2-N-ethyl-6-N-[(4-methyl-3-pyridinyl)methyl]pyridine-2,6-diamine
CID 102760189
N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine
CID 114956500
2-ethyl-6-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80982045

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-N,5-dimethyl-4-N-[(4-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-6-N,5-dimethyl-4-N-[(4-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine (CID 114957898) is 2-ethyl-6-N,5-dimethyl-4-N-[(4-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-6-N,5-dimethyl-4-N-[(4-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-6-N,5-dimethyl-4-N-[(4-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine is CCc1nc(NC)c(C)c(NCc2cnccc2C)n1.
What is the InChIKey of 2-ethyl-6-N,5-dimethyl-4-N-[(4-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is LJQQTQBLWZPJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-5-13-19-14(16-4)11(3)15(20-13)18-9-12-8-17-7-6-10(12)2/h6-8H,5,9H2,1-4H3,(H2,16,18,19,20).
What are the key properties of 2-ethyl-6-N,5-dimethyl-4-N-[(4-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine?
2-ethyl-6-N,5-dimethyl-4-N-[(4-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 271.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-N,5-dimethyl-4-N-[(4-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 114957898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).