2-(4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine

C10H17N3 — CID 62745107

IUPAC2-(4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine
SMILESCCNCCc1c(C)ncnc1C
InChIInChI=1S/C10H17N3/c1-4-11-6-5-10-8(2)12-7-13-9(10)3/h7,11H,4-6H2,1-3H3
InChIKeyJUJIVHNOBLVLQN-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.25
Rot. Bonds4

About 2-(4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine

2-(4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine (PubChem CID 62745107) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine
PubChem CID62745107
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-(4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine
SMILESCCNCCc1c(C)ncnc1C
InChIInChI=1S/C10H17N3/c1-4-11-6-5-10-8(2)12-7-13-9(10)3/h7,11H,4-6H2,1-3H3
InChIKeyJUJIVHNOBLVLQN-UHFFFAOYSA-N
XLogP1.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 135271003
CID 135271003
CID 135271007
CID 135271007
CID 135271012
CID 135271012
CID 135271022
CID 135271022
CID 137381348
CID 137381348
CID 12250862
CID 12250862
CID 145979503
CID 145979503
CID 155543587
CID 155543587
CID 135260422
CID 135260422
CID 135271001
CID 135271001
CID 135271011
CID 135271011
CID 18736669
CID 18736669

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine?
The IUPAC name of 2-(4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine (CID 62745107) is 2-(4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine is CCNCCc1c(C)ncnc1C.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine?
The InChIKey is JUJIVHNOBLVLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-4-11-6-5-10-8(2)12-7-13-9(10)3/h7,11H,4-6H2,1-3H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine?
2-(4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine has a molecular weight of 179.27 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-5-yl)-N-ethylethanamine is sourced from PubChem (CID 62745107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).