4-N-(1-ethoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine

C11H21N5O — CID 114114612

IUPAC4-N-(1-ethoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine
SMILESCCOCC(Nc1cc(N)nc(N)n1)C(C)C
InChIInChI=1S/C11H21N5O/c1-4-17-6-8(7(2)3)14-10-5-9(12)15-11(13)16-10/h5,7-8H,4,6H2,1-3H3,(H5,12,13,14,15,16)
InChIKeyWKALBPRFTYILNJ-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.11
Rot. Bonds6

About 4-N-(1-ethoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine

4-N-(1-ethoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine (PubChem CID 114114612) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-N-(1-ethoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(1-ethoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine
PubChem CID114114612
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name4-N-(1-ethoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine
SMILESCCOCC(Nc1cc(N)nc(N)n1)C(C)C
InChIInChI=1S/C11H21N5O/c1-4-17-6-8(7(2)3)14-10-5-9(12)15-11(13)16-10/h5,7-8H,4,6H2,1-3H3,(H5,12,13,14,15,16)
InChIKeyWKALBPRFTYILNJ-UHFFFAOYSA-N
XLogP1.11
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N,N,N-Triisobutyl-pyrimidine-2,4,6-triamine
CID 25128814
N4-cyclopropyl-6-morpholin-4-yl-pyrimidine-2,4-diamine
CID 117079404
N4-methyl-6-morpholin-4-yl-pyrimidine-2,4-diamine
CID 80767642
2,4-Diamino-6-morpholinopyrimidine
CID 13249216
N4-cyclopropyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine
CID 154815499
N4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine
CID 154815500
6-N-cyclopropyl-4-N-methyl-4-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-2,4,6-triamine
CID 95122020
N-(2-fluoro-2-methylpropyl)-6-[(3R)-3-methylmorpholin-4-yl]-2-methylsulfanylpyrimidin-4-amine
CID 137550505
N-(2-fluoro-2-methylpropyl)-6-(3-methylmorpholin-4-yl)-2-methylsulfanylpyrimidin-4-amine
CID 137550506
2-[2-(dimethylamino)ethoxy]-6-fluoro-N-methylpyrimidin-4-amine
CID 145047144
6-fluoro-4-N-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 162778366
6-fluoro-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine
CID 175447655

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-ethoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(1-ethoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine (CID 114114612) is 4-N-(1-ethoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(1-ethoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(1-ethoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine is CCOCC(Nc1cc(N)nc(N)n1)C(C)C.
What is the InChIKey of 4-N-(1-ethoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine?
The InChIKey is WKALBPRFTYILNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-4-17-6-8(7(2)3)14-10-5-9(12)15-11(13)16-10/h5,7-8H,4,6H2,1-3H3,(H5,12,13,14,15,16).
What are the key properties of 4-N-(1-ethoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine?
4-N-(1-ethoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine has a molecular weight of 239.32 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-ethoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 114114612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).