4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N,5-dimethylpyrimidine-4,6-diamine

C16H22N4O — CID 80829895

IUPAC4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N,5-dimethylpyrimidine-4,6-diamine
SMILESCOc1ccccc1CC(C)N(C)c1ncnc(N)c1C
InChIInChI=1S/C16H22N4O/c1-11(9-13-7-5-6-8-14(13)21-4)20(3)16-12(2)15(17)18-10-19-16/h5-8,10-11H,9H2,1-4H3,(H2,17,18,19)
InChIKeyKIWCPPZSJJHPHC-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.44
Rot. Bonds5

About 4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N,5-dimethylpyrimidine-4,6-diamine

4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80829895) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID80829895
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N,5-dimethylpyrimidine-4,6-diamine
SMILESCOc1ccccc1CC(C)N(C)c1ncnc(N)c1C
InChIInChI=1S/C16H22N4O/c1-11(9-13-7-5-6-8-14(13)21-4)20(3)16-12(2)15(17)18-10-19-16/h5-8,10-11H,9H2,1-4H3,(H2,17,18,19)
InChIKeyKIWCPPZSJJHPHC-UHFFFAOYSA-N
XLogP2.44
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N-methylpyrazine-2,5-diamine
CID 80653405
5-bromo-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyrimidine-2,4-diamine
CID 80829894
2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-3-carbonitrile
CID 65488782
5-N-[1-(2-methoxyphenyl)propan-2-yl]-5-N,1,3-trimethylpyrazole-4,5-diamine
CID 65485261
4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyridine-3,4-diamine
CID 65485063
2-iodo-1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbenzene-1,4-diamine
CID 66092748
2-(aminomethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyridin-4-amine
CID 65484470
1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66454325
4-iodo-1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbenzene-1,2-diamine
CID 66080150
3-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridazine-4-carbonitrile
CID 80505836
1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbutane-1,2-diamine
CID 65487594
2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-4-carbonitrile
CID 65485931

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N,5-dimethylpyrimidine-4,6-diamine (CID 80829895) is 4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N,5-dimethylpyrimidine-4,6-diamine is COc1ccccc1CC(C)N(C)c1ncnc(N)c1C.
What is the InChIKey of 4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is KIWCPPZSJJHPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11(9-13-7-5-6-8-14(13)21-4)20(3)16-12(2)15(17)18-10-19-16/h5-8,10-11H,9H2,1-4H3,(H2,17,18,19).
What are the key properties of 4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N,5-dimethylpyrimidine-4,6-diamine?
4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 286.38 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80829895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).