4-N-[2-(4-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine

C16H18N6O — CID 133366006

IUPAC4-N-[2-(4-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine
SMILESCOc1ccc(CCNc2ncnc(-n3cccn3)c2N)cc1
InChIInChI=1S/C16H18N6O/c1-23-13-5-3-12(4-6-13)7-9-18-15-14(17)16(20-11-19-15)22-10-2-8-21-22/h2-6,8,10-11H,7,9,17H2,1H3,(H,18,19,20)
InChIKeyIGMWLMOWBRZXRF-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.91
Rot. Bonds6

About 4-N-[2-(4-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine

4-N-[2-(4-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine (PubChem CID 133366006) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-N-[2-(4-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[2-(4-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine
PubChem CID133366006
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name4-N-[2-(4-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine
SMILESCOc1ccc(CCNc2ncnc(-n3cccn3)c2N)cc1
InChIInChI=1S/C16H18N6O/c1-23-13-5-3-12(4-6-13)7-9-18-15-14(17)16(20-11-19-15)22-10-2-8-21-22/h2-6,8,10-11H,7,9,17H2,1H3,(H,18,19,20)
InChIKeyIGMWLMOWBRZXRF-UHFFFAOYSA-N
XLogP1.91
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine
CID 75442123
4-[(5-amino-6-pyrazol-1-ylpyrimidin-4-yl)amino]butanoic acid
CID 122058549
3-amino-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile
CID 82816871
N-[2-(4-methoxyphenyl)ethyl]pteridin-4-amine
CID 58174186
4-N-[(1-methylsulfinylcyclopropyl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine
CID 146091416
4-N-(1,3-benzodioxol-5-ylmethyl)-6-pyrazol-1-ylpyrimidine-4,5-diamine
CID 133365752
4-N-[(4-fluorophenyl)methyl]-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19139013
4-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19137069
2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine
CID 1023772
4-N-[(4-methylphenyl)methyl]-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138067
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 22541609
6-N-[2-(4-fluorophenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860201

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-[2-(4-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine (CID 133366006) is 4-N-[2-(4-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[2-(4-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[2-(4-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine is COc1ccc(CCNc2ncnc(-n3cccn3)c2N)cc1.
What is the InChIKey of 4-N-[2-(4-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine?
The InChIKey is IGMWLMOWBRZXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-23-13-5-3-12(4-6-13)7-9-18-15-14(17)16(20-11-19-15)22-10-2-8-21-22/h2-6,8,10-11H,7,9,17H2,1H3,(H,18,19,20).
What are the key properties of 4-N-[2-(4-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine?
4-N-[2-(4-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine has a molecular weight of 310.36 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-methoxyphenyl)ethyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 133366006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).