4-N',4-N'-dimethyl-1H-pyrimidine-2,4,4,6-tetramine

C6H14N6 — CID 70636497

IUPAC4-N',4-N'-dimethyl-1H-pyrimidine-2,4,4,6-tetramine
SMILESCN(C)C1(N)C=C(N)NC(N)=N1
InChIInChI=1S/C6H14N6/c1-12(2)6(9)3-4(7)10-5(8)11-6/h3H,7,9H2,1-2H3,(H3,8,10,11)
InChIKeyCPDMFQOVEXIIMC-UHFFFAOYSA-N
MW170.22 g/mol
LogP-2.12
Rot. Bonds1

About 4-N',4-N'-dimethyl-1H-pyrimidine-2,4,4,6-tetramine

4-N',4-N'-dimethyl-1H-pyrimidine-2,4,4,6-tetramine (PubChem CID 70636497) has the molecular formula C6H14N6 and a molecular weight of 170.22 g/mol. Its IUPAC name is 4-N',4-N'-dimethyl-1H-pyrimidine-2,4,4,6-tetramine.

Molecular Properties

Compound Name4-N',4-N'-dimethyl-1H-pyrimidine-2,4,4,6-tetramine
PubChem CID70636497
Molecular FormulaC6H14N6
Molecular Weight170.22 g/mol
Exact Mass170.13
IUPAC Name4-N',4-N'-dimethyl-1H-pyrimidine-2,4,4,6-tetramine
SMILESCN(C)C1(N)C=C(N)NC(N)=N1
InChIInChI=1S/C6H14N6/c1-12(2)6(9)3-4(7)10-5(8)11-6/h3H,7,9H2,1-2H3,(H3,8,10,11)
InChIKeyCPDMFQOVEXIIMC-UHFFFAOYSA-N
XLogP-2.12
TPSA105.69 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 5-2.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N',4-N'-dimethyl-1H-pyrimidine-2,4,4,6-tetramine?
The IUPAC name of 4-N',4-N'-dimethyl-1H-pyrimidine-2,4,4,6-tetramine (CID 70636497) is 4-N',4-N'-dimethyl-1H-pyrimidine-2,4,4,6-tetramine.
What is the SMILES notation for 4-N',4-N'-dimethyl-1H-pyrimidine-2,4,4,6-tetramine?
The canonical SMILES for 4-N',4-N'-dimethyl-1H-pyrimidine-2,4,4,6-tetramine is CN(C)C1(N)C=C(N)NC(N)=N1.
What is the InChIKey of 4-N',4-N'-dimethyl-1H-pyrimidine-2,4,4,6-tetramine?
The InChIKey is CPDMFQOVEXIIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N6/c1-12(2)6(9)3-4(7)10-5(8)11-6/h3H,7,9H2,1-2H3,(H3,8,10,11).
What are the key properties of 4-N',4-N'-dimethyl-1H-pyrimidine-2,4,4,6-tetramine?
4-N',4-N'-dimethyl-1H-pyrimidine-2,4,4,6-tetramine has a molecular weight of 170.22 g/mol, XLogP of -2.12, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N',4-N'-dimethyl-1H-pyrimidine-2,4,4,6-tetramine is sourced from PubChem (CID 70636497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).