2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N-methylpyrimidine-4,6-diamine

C13H24N4O — CID 80941879

IUPAC2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N-methylpyrimidine-4,6-diamine
SMILESCCCC(COC)Nc1cc(NC)nc(CC)n1
InChIInChI=1S/C13H24N4O/c1-5-7-10(9-18-4)15-13-8-12(14-3)16-11(6-2)17-13/h8,10H,5-7,9H2,1-4H3,(H2,14,15,16,17)
InChIKeyWQMRNZDDKQTFCE-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.31
Rot. Bonds8

About 2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N-methylpyrimidine-4,6-diamine

2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80941879) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID80941879
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N-methylpyrimidine-4,6-diamine
SMILESCCCC(COC)Nc1cc(NC)nc(CC)n1
InChIInChI=1S/C13H24N4O/c1-5-7-10(9-18-4)15-13-8-12(14-3)16-11(6-2)17-13/h8,10H,5-7,9H2,1-4H3,(H2,14,15,16,17)
InChIKeyWQMRNZDDKQTFCE-UHFFFAOYSA-N
XLogP2.31
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-6-N-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine
CID 106028873
4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80950094
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 106163088
3-methoxy-2-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 114157112
2-(methoxymethyl)-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine
CID 113401520
2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80984500
3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 113496687
6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-2,4,6-triamine
CID 80837603
4-N-(1-methoxybutan-2-yl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80959645
2-ethyl-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one
CID 137016467
4-methoxy-3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butan-1-ol
CID 114152250
2-cyclopropyl-6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine
CID 80959752

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N-methylpyrimidine-4,6-diamine (CID 80941879) is 2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N-methylpyrimidine-4,6-diamine is CCCC(COC)Nc1cc(NC)nc(CC)n1.
What is the InChIKey of 2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is WQMRNZDDKQTFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-7-10(9-18-4)15-13-8-12(14-3)16-11(6-2)17-13/h8,10H,5-7,9H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N-methylpyrimidine-4,6-diamine?
2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80941879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).