4-N-butan-2-yl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine

C12H22N4O — CID 80810126

IUPAC4-N-butan-2-yl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
SMILESCCC(C)N(CCOC)c1cc(C)nc(N)n1
InChIInChI=1S/C12H22N4O/c1-5-10(3)16(6-7-17-4)11-8-9(2)14-12(13)15-11/h8,10H,5-7H2,1-4H3,(H2,13,14,15)
InChIKeyYVSAOJBPLVJVAM-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.62
Rot. Bonds6

About 4-N-butan-2-yl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine

4-N-butan-2-yl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 80810126) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-N-butan-2-yl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
PubChem CID80810126
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-N-butan-2-yl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
SMILESCCC(C)N(CCOC)c1cc(C)nc(N)n1
InChIInChI=1S/C12H22N4O/c1-5-10(3)16(6-7-17-4)11-8-9(2)14-12(13)15-11/h8,10H,5-7H2,1-4H3,(H2,13,14,15)
InChIKeyYVSAOJBPLVJVAM-UHFFFAOYSA-N
XLogP1.62
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013495
4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyrimidine-2,4,6-triamine
CID 80821328
4-N-butan-2-yl-4-N-(2-methoxyethyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80820334
2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methylpyridine-2,5-diamine
CID 79176590
6-N-ethyl-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4,6-triamine
CID 80820365
6-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80849194
6-hydrazinyl-4-N-(2-methoxyethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 82965494
2-N-butan-2-yl-4-N,4-N-diethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine
CID 80787377
6-N-butan-2-yl-3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine
CID 114074357
4-N-butan-2-yl-2-ethyl-4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,6-diamine
CID 80935470
4-N-butan-2-yl-6-ethyl-4-N-(2-methoxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326475
N-butan-2-yl-N-(2-methoxyethyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-amine
CID 62289000

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-butan-2-yl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine (CID 80810126) is 4-N-butan-2-yl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butan-2-yl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butan-2-yl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine is CCC(C)N(CCOC)c1cc(C)nc(N)n1.
What is the InChIKey of 4-N-butan-2-yl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is YVSAOJBPLVJVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-10(3)16(6-7-17-4)11-8-9(2)14-12(13)15-11/h8,10H,5-7H2,1-4H3,(H2,13,14,15).
What are the key properties of 4-N-butan-2-yl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine?
4-N-butan-2-yl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80810126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).