5-(2-methoxyethyl)-6-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylpyrimidine-4,6-diamine

C22H24N6O — CID 68955790

IUPAC5-(2-methoxyethyl)-6-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylpyrimidine-4,6-diamine
SMILESCNc1nc(-c2ccc3ccccc3c2)nc(Nc2cc(C)[nH]n2)c1CCOC
InChIInChI=1S/C22H24N6O/c1-14-12-19(28-27-14)24-22-18(10-11-29-3)21(23-2)25-20(26-22)17-9-8-15-6-4-5-7-16(15)13-17/h4-9,12-13H,10-11H2,1-3H3,(H3,23,24,25,26,27,28)
InChIKeyNXQZWLVZAVWPBQ-UHFFFAOYSA-N
MW388.48 g/mol
LogP4.30
Rot. Bonds7

About 5-(2-methoxyethyl)-6-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylpyrimidine-4,6-diamine

5-(2-methoxyethyl)-6-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylpyrimidine-4,6-diamine (PubChem CID 68955790) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-6-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-(2-methoxyethyl)-6-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylpyrimidine-4,6-diamine
PubChem CID68955790
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name5-(2-methoxyethyl)-6-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylpyrimidine-4,6-diamine
SMILESCNc1nc(-c2ccc3ccccc3c2)nc(Nc2cc(C)[nH]n2)c1CCOC
InChIInChI=1S/C22H24N6O/c1-14-12-19(28-27-14)24-22-18(10-11-29-3)21(23-2)25-20(26-22)17-9-8-15-6-4-5-7-16(15)13-17/h4-9,12-13H,10-11H2,1-3H3,(H3,23,24,25,26,27,28)
InChIKeyNXQZWLVZAVWPBQ-UHFFFAOYSA-N
XLogP4.30
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-6-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 5-(2-methoxyethyl)-6-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylpyrimidine-4,6-diamine (CID 68955790) is 5-(2-methoxyethyl)-6-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-(2-methoxyethyl)-6-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 5-(2-methoxyethyl)-6-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylpyrimidine-4,6-diamine is CNc1nc(-c2ccc3ccccc3c2)nc(Nc2cc(C)[nH]n2)c1CCOC.
What is the InChIKey of 5-(2-methoxyethyl)-6-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylpyrimidine-4,6-diamine?
The InChIKey is NXQZWLVZAVWPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-14-12-19(28-27-14)24-22-18(10-11-29-3)21(23-2)25-20(26-22)17-9-8-15-6-4-5-7-16(15)13-17/h4-9,12-13H,10-11H2,1-3H3,(H3,23,24,25,26,27,28).
What are the key properties of 5-(2-methoxyethyl)-6-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylpyrimidine-4,6-diamine?
5-(2-methoxyethyl)-6-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylpyrimidine-4,6-diamine has a molecular weight of 388.48 g/mol, XLogP of 4.30, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-6-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 68955790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).