6-N,5-diethyl-4-N-(1-methoxypropan-2-yl)-4-N-methylpyrimidine-4,6-diamine

C13H24N4O — CID 80809383

IUPAC6-N,5-diethyl-4-N-(1-methoxypropan-2-yl)-4-N-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(N(C)C(C)COC)c1CC
InChIInChI=1S/C13H24N4O/c1-6-11-12(14-7-2)15-9-16-13(11)17(4)10(3)8-18-5/h9-10H,6-8H2,1-5H3,(H,14,15,16)
InChIKeyLWEKDNZAFNBDLX-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.94
Rot. Bonds7

About 6-N,5-diethyl-4-N-(1-methoxypropan-2-yl)-4-N-methylpyrimidine-4,6-diamine

6-N,5-diethyl-4-N-(1-methoxypropan-2-yl)-4-N-methylpyrimidine-4,6-diamine (PubChem CID 80809383) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 6-N,5-diethyl-4-N-(1-methoxypropan-2-yl)-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-diethyl-4-N-(1-methoxypropan-2-yl)-4-N-methylpyrimidine-4,6-diamine
PubChem CID80809383
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name6-N,5-diethyl-4-N-(1-methoxypropan-2-yl)-4-N-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(N(C)C(C)COC)c1CC
InChIInChI=1S/C13H24N4O/c1-6-11-12(14-7-2)15-9-16-13(11)17(4)10(3)8-18-5/h9-10H,6-8H2,1-5H3,(H,14,15,16)
InChIKeyLWEKDNZAFNBDLX-UHFFFAOYSA-N
XLogP1.94
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-butan-2-yl-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80775365
4-N,6-N,5-triethyl-4-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 80808569
2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 113426535
3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]-methylamino]butanenitrile
CID 80829044
4-N-(1-methoxypropan-2-yl)-4-N,6-N-dimethyl-5-nitropyrimidine-4,6-diamine
CID 78958736
6-N,5-diethyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 80764406
2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]ethanol
CID 80771706
6-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methyl-5-nitropyrimidin-4-amine
CID 80896203
6-N-ethyl-4-N,5-dimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine
CID 80792480
2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]benzonitrile
CID 80839058
5-iodo-N-(1-methoxypropan-2-yl)-N-methylpyrimidin-4-amine
CID 66319257
6-N,5-diethyl-4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,6-diamine
CID 80795409

Frequently Asked Questions

What is the IUPAC name of 6-N,5-diethyl-4-N-(1-methoxypropan-2-yl)-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-diethyl-4-N-(1-methoxypropan-2-yl)-4-N-methylpyrimidine-4,6-diamine (CID 80809383) is 6-N,5-diethyl-4-N-(1-methoxypropan-2-yl)-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-diethyl-4-N-(1-methoxypropan-2-yl)-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-diethyl-4-N-(1-methoxypropan-2-yl)-4-N-methylpyrimidine-4,6-diamine is CCNc1ncnc(N(C)C(C)COC)c1CC.
What is the InChIKey of 6-N,5-diethyl-4-N-(1-methoxypropan-2-yl)-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is LWEKDNZAFNBDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-6-11-12(14-7-2)15-9-16-13(11)17(4)10(3)8-18-5/h9-10H,6-8H2,1-5H3,(H,14,15,16).
What are the key properties of 6-N,5-diethyl-4-N-(1-methoxypropan-2-yl)-4-N-methylpyrimidine-4,6-diamine?
6-N,5-diethyl-4-N-(1-methoxypropan-2-yl)-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-diethyl-4-N-(1-methoxypropan-2-yl)-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80809383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).