6-N-(2-aminoethyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine

C9H17N5 — CID 99980166

IUPAC6-N-(2-aminoethyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine
SMILESCc1nc(NCCN)cc(N(C)C)n1
InChIInChI=1S/C9H17N5/c1-7-12-8(11-5-4-10)6-9(13-7)14(2)3/h6H,4-5,10H2,1-3H3,(H,11,12,13)
InChIKeyREOQQINJESYSRT-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.22
Rot. Bonds4

About 6-N-(2-aminoethyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine

6-N-(2-aminoethyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine (PubChem CID 99980166) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 6-N-(2-aminoethyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(2-aminoethyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine
PubChem CID99980166
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name6-N-(2-aminoethyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine
SMILESCc1nc(NCCN)cc(N(C)C)n1
InChIInChI=1S/C9H17N5/c1-7-12-8(11-5-4-10)6-9(13-7)14(2)3/h6H,4-5,10H2,1-3H3,(H,11,12,13)
InChIKeyREOQQINJESYSRT-UHFFFAOYSA-N
XLogP0.22
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-(2-aminoethyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(2-aminoethyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine (CID 99980166) is 6-N-(2-aminoethyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(2-aminoethyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(2-aminoethyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine is Cc1nc(NCCN)cc(N(C)C)n1.
What is the InChIKey of 6-N-(2-aminoethyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine?
The InChIKey is REOQQINJESYSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-7-12-8(11-5-4-10)6-9(13-7)14(2)3/h6H,4-5,10H2,1-3H3,(H,11,12,13).
What are the key properties of 6-N-(2-aminoethyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine?
6-N-(2-aminoethyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine has a molecular weight of 195.27 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-aminoethyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 99980166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).