6-N-ethyl-4-N-(4-methyloxan-4-yl)pyrimidine-2,4,6-triamine

C12H21N5O — CID 113491377

IUPAC6-N-ethyl-4-N-(4-methyloxan-4-yl)pyrimidine-2,4,6-triamine
SMILESCCNc1cc(NC2(C)CCOCC2)nc(N)n1
InChIInChI=1S/C12H21N5O/c1-3-14-9-8-10(16-11(13)15-9)17-12(2)4-6-18-7-5-12/h8H,3-7H2,1-2H3,(H4,13,14,15,16,17)
InChIKeyBRBKRCHPNOCFOH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.47
Rot. Bonds4

About 6-N-ethyl-4-N-(4-methyloxan-4-yl)pyrimidine-2,4,6-triamine

6-N-ethyl-4-N-(4-methyloxan-4-yl)pyrimidine-2,4,6-triamine (PubChem CID 113491377) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(4-methyloxan-4-yl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(4-methyloxan-4-yl)pyrimidine-2,4,6-triamine
PubChem CID113491377
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name6-N-ethyl-4-N-(4-methyloxan-4-yl)pyrimidine-2,4,6-triamine
SMILESCCNc1cc(NC2(C)CCOCC2)nc(N)n1
InChIInChI=1S/C12H21N5O/c1-3-14-9-8-10(16-11(13)15-9)17-12(2)4-6-18-7-5-12/h8H,3-7H2,1-2H3,(H4,13,14,15,16,17)
InChIKeyBRBKRCHPNOCFOH-UHFFFAOYSA-N
XLogP1.47
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-N-ethyl-4-N-(4-methyloxan-4-yl)pyrimidine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-ethyl-2-methyl-4-N-(3-methyloxolan-3-yl)pyrimidine-4,6-diamine
CID 113482400
6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 113486283
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
4-N-(4-methyloxan-4-yl)-6-N-propylpyrimidine-4,6-diamine
CID 113491390
3,5-dichloro-2-N-ethyl-6-N-(4-methyloxan-4-yl)pyridine-2,6-diamine
CID 102759935
[4-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]oxan-4-yl]methanol
CID 106301218
2-N-ethyl-6-N-(1-methylcyclopropyl)-4-nitropyridine-2,6-diamine
CID 114071266
4-N-(2,2-dimethylcyclopentyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80850169
4-N-tert-butyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80768954
4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80766375
2-N-ethyl-6-N-(1-methylcyclopentyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718695
6-N-ethyl-4-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine
CID 80824334

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(4-methyloxan-4-yl)pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-ethyl-4-N-(4-methyloxan-4-yl)pyrimidine-2,4,6-triamine (CID 113491377) is 6-N-ethyl-4-N-(4-methyloxan-4-yl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-ethyl-4-N-(4-methyloxan-4-yl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-ethyl-4-N-(4-methyloxan-4-yl)pyrimidine-2,4,6-triamine is CCNc1cc(NC2(C)CCOCC2)nc(N)n1.
What is the InChIKey of 6-N-ethyl-4-N-(4-methyloxan-4-yl)pyrimidine-2,4,6-triamine?
The InChIKey is BRBKRCHPNOCFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-14-9-8-10(16-11(13)15-9)17-12(2)4-6-18-7-5-12/h8H,3-7H2,1-2H3,(H4,13,14,15,16,17).
What are the key properties of 6-N-ethyl-4-N-(4-methyloxan-4-yl)pyrimidine-2,4,6-triamine?
6-N-ethyl-4-N-(4-methyloxan-4-yl)pyrimidine-2,4,6-triamine has a molecular weight of 251.33 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(4-methyloxan-4-yl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 113491377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).