4-N-ethyl-2-N-(3-methoxybutyl)-4-N-methylpyrimidine-2,4-diamine

C12H22N4O — CID 135116152

IUPAC4-N-ethyl-2-N-(3-methoxybutyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCCN(C)c1ccnc(NCCC(C)OC)n1
InChIInChI=1S/C12H22N4O/c1-5-16(3)11-7-9-14-12(15-11)13-8-6-10(2)17-4/h7,9-10H,5-6,8H2,1-4H3,(H,13,14,15)
InChIKeyKKCXYFQMOQAITK-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.77
Rot. Bonds7

About 4-N-ethyl-2-N-(3-methoxybutyl)-4-N-methylpyrimidine-2,4-diamine

4-N-ethyl-2-N-(3-methoxybutyl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 135116152) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-N-ethyl-2-N-(3-methoxybutyl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-(3-methoxybutyl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID135116152
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-N-ethyl-2-N-(3-methoxybutyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCCN(C)c1ccnc(NCCC(C)OC)n1
InChIInChI=1S/C12H22N4O/c1-5-16(3)11-7-9-14-12(15-11)13-8-6-10(2)17-4/h7,9-10H,5-6,8H2,1-4H3,(H,13,14,15)
InChIKeyKKCXYFQMOQAITK-UHFFFAOYSA-N
XLogP1.77
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-methoxypropyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 112754759
2-N-[2-[4-(dimethylamino)phenyl]ethyl]-4-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 135105675
4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80794598
4-N-[(2-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80778639
2-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]amino]pentanoic acid
CID 135088959
2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794813
4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine
CID 133381954
2-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794622
2-N,4-N-dimethyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 80795078
4-N-methyl-2-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 80788617
4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895475
2-N-(3-ethoxypropyl)-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 133381871

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-(3-methoxybutyl)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-(3-methoxybutyl)-4-N-methylpyrimidine-2,4-diamine (CID 135116152) is 4-N-ethyl-2-N-(3-methoxybutyl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-(3-methoxybutyl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-(3-methoxybutyl)-4-N-methylpyrimidine-2,4-diamine is CCN(C)c1ccnc(NCCC(C)OC)n1.
What is the InChIKey of 4-N-ethyl-2-N-(3-methoxybutyl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is KKCXYFQMOQAITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-16(3)11-7-9-14-12(15-11)13-8-6-10(2)17-4/h7,9-10H,5-6,8H2,1-4H3,(H,13,14,15).
What are the key properties of 4-N-ethyl-2-N-(3-methoxybutyl)-4-N-methylpyrimidine-2,4-diamine?
4-N-ethyl-2-N-(3-methoxybutyl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-(3-methoxybutyl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 135116152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).