4-N-(1-ethoxypropan-2-yl)-6-N-methylpyrimidine-2,4,6-triamine

C10H19N5O — CID 80813392

IUPAC4-N-(1-ethoxypropan-2-yl)-6-N-methylpyrimidine-2,4,6-triamine
SMILESCCOCC(C)Nc1cc(NC)nc(N)n1
InChIInChI=1S/C10H19N5O/c1-4-16-6-7(2)13-9-5-8(12-3)14-10(11)15-9/h5,7H,4,6H2,1-3H3,(H4,11,12,13,14,15)
InChIKeyIKVDDOBMTJQJRO-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.94
Rot. Bonds6

About 4-N-(1-ethoxypropan-2-yl)-6-N-methylpyrimidine-2,4,6-triamine

4-N-(1-ethoxypropan-2-yl)-6-N-methylpyrimidine-2,4,6-triamine (PubChem CID 80813392) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 4-N-(1-ethoxypropan-2-yl)-6-N-methylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(1-ethoxypropan-2-yl)-6-N-methylpyrimidine-2,4,6-triamine
PubChem CID80813392
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name4-N-(1-ethoxypropan-2-yl)-6-N-methylpyrimidine-2,4,6-triamine
SMILESCCOCC(C)Nc1cc(NC)nc(N)n1
InChIInChI=1S/C10H19N5O/c1-4-16-6-7(2)13-9-5-8(12-3)14-10(11)15-9/h5,7H,4,6H2,1-3H3,(H4,11,12,13,14,15)
InChIKeyIKVDDOBMTJQJRO-UHFFFAOYSA-N
XLogP0.94
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-N-(1-ethoxypropan-2-yl)-6-N-methylpyrimidine-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

N-(1-ethoxypropan-2-yl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80964267
4-N-(1-ethoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine
CID 114114612
(2S)-2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 80848437
4-N-(1-ethoxypropan-2-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564719
6-chloro-N-(1-ethoxypropan-2-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80953961
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
6-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80770072
4-N-[1-(4-methoxyphenyl)ethyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 80851656
2-cyclopropyl-4-N-[(2S)-1-methoxypropan-2-yl]-6-N-methylpyrimidine-4,6-diamine
CID 129380989
4-N-(1-methoxypropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563868
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
4-N-(1-ethoxypropan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564720

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-ethoxypropan-2-yl)-6-N-methylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(1-ethoxypropan-2-yl)-6-N-methylpyrimidine-2,4,6-triamine (CID 80813392) is 4-N-(1-ethoxypropan-2-yl)-6-N-methylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(1-ethoxypropan-2-yl)-6-N-methylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(1-ethoxypropan-2-yl)-6-N-methylpyrimidine-2,4,6-triamine is CCOCC(C)Nc1cc(NC)nc(N)n1.
What is the InChIKey of 4-N-(1-ethoxypropan-2-yl)-6-N-methylpyrimidine-2,4,6-triamine?
The InChIKey is IKVDDOBMTJQJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-4-16-6-7(2)13-9-5-8(12-3)14-10(11)15-9/h5,7H,4,6H2,1-3H3,(H4,11,12,13,14,15).
What are the key properties of 4-N-(1-ethoxypropan-2-yl)-6-N-methylpyrimidine-2,4,6-triamine?
4-N-(1-ethoxypropan-2-yl)-6-N-methylpyrimidine-2,4,6-triamine has a molecular weight of 225.30 g/mol, XLogP of 0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-ethoxypropan-2-yl)-6-N-methylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80813392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).