4-N-[(2R)-2-ethylhexyl]-6-N-methylpyrimidine-4,6-diamine

C13H24N4 — CID 129414271

IUPAC4-N-[(2R)-2-ethylhexyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCCCC[C@@H](CC)CNc1cc(NC)ncn1
InChIInChI=1S/C13H24N4/c1-4-6-7-11(5-2)9-15-13-8-12(14-3)16-10-17-13/h8,10-11H,4-7,9H2,1-3H3,(H2,14,15,16,17)/t11-/m1/s1
InChIKeyQEXADYASPZOZNG-LLVKDONJSA-N
MW236.36 g/mol
LogP3.15
Rot. Bonds8

About 4-N-[(2R)-2-ethylhexyl]-6-N-methylpyrimidine-4,6-diamine

4-N-[(2R)-2-ethylhexyl]-6-N-methylpyrimidine-4,6-diamine (PubChem CID 129414271) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-N-[(2R)-2-ethylhexyl]-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(2R)-2-ethylhexyl]-6-N-methylpyrimidine-4,6-diamine
PubChem CID129414271
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name4-N-[(2R)-2-ethylhexyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCCCC[C@@H](CC)CNc1cc(NC)ncn1
InChIInChI=1S/C13H24N4/c1-4-6-7-11(5-2)9-15-13-8-12(14-3)16-10-17-13/h8,10-11H,4-7,9H2,1-3H3,(H2,14,15,16,17)/t11-/m1/s1
InChIKeyQEXADYASPZOZNG-LLVKDONJSA-N
XLogP3.15
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-N-(2-ethylhexyl)pyrimidin-4-amine
CID 107816361
N-(2-ethylhexyl)-6-propoxypyrimidin-4-amine
CID 107816415
2-N-(2-ethylhexyl)-6-N-methylpyrazine-2,6-diamine
CID 114004493
2-N-(2-ethylhexyl)pyrazine-2,5-diamine
CID 107818873
2-N-ethyl-4-N-(2-ethylhexyl)pyridine-2,4-diamine
CID 107819048
4-N-(2,2-dicyclopropylethyl)-6-N-methylpyrimidine-4,6-diamine
CID 80847025
N-(2-ethylhexyl)-5-methylpyrimidin-2-amine
CID 107816474
5-bromo-4-N-(2-ethylhexyl)pyrimidine-4,6-diamine
CID 114072894
3-[[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol
CID 106772537
5-(2-ethylhexylamino)pyrazine-2-carboxylic acid
CID 107815568
3-[[(6-chloropyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106116854
4-N-(2-ethylhexyl)quinazoline-4,7-diamine
CID 107819800

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2R)-2-ethylhexyl]-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(2R)-2-ethylhexyl]-6-N-methylpyrimidine-4,6-diamine (CID 129414271) is 4-N-[(2R)-2-ethylhexyl]-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(2R)-2-ethylhexyl]-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(2R)-2-ethylhexyl]-6-N-methylpyrimidine-4,6-diamine is CCCC[C@@H](CC)CNc1cc(NC)ncn1.
What is the InChIKey of 4-N-[(2R)-2-ethylhexyl]-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is QEXADYASPZOZNG-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-6-7-11(5-2)9-15-13-8-12(14-3)16-10-17-13/h8,10-11H,4-7,9H2,1-3H3,(H2,14,15,16,17)/t11-/m1/s1.
What are the key properties of 4-N-[(2R)-2-ethylhexyl]-6-N-methylpyrimidine-4,6-diamine?
4-N-[(2R)-2-ethylhexyl]-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 236.36 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2R)-2-ethylhexyl]-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 129414271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).