2,4-diamino-6-(4-methoxynaphthalen-1-yl)pyrimidine-5-carbonitrile

C16H13N5O — CID 169396208

IUPAC2,4-diamino-6-(4-methoxynaphthalen-1-yl)pyrimidine-5-carbonitrile
SMILESCOc1ccc(-c2nc(N)nc(N)c2C#N)c2ccccc12
InChIInChI=1S/C16H13N5O/c1-22-13-7-6-11(9-4-2-3-5-10(9)13)14-12(8-17)15(18)21-16(19)20-14/h2-7H,1H3,(H4,18,19,20,21)
InChIKeyTVDDRZRTCWVVLX-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.34
Rot. Bonds2

About 2,4-diamino-6-(4-methoxynaphthalen-1-yl)pyrimidine-5-carbonitrile

2,4-diamino-6-(4-methoxynaphthalen-1-yl)pyrimidine-5-carbonitrile (PubChem CID 169396208) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 2,4-diamino-6-(4-methoxynaphthalen-1-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-6-(4-methoxynaphthalen-1-yl)pyrimidine-5-carbonitrile
PubChem CID169396208
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name2,4-diamino-6-(4-methoxynaphthalen-1-yl)pyrimidine-5-carbonitrile
SMILESCOc1ccc(-c2nc(N)nc(N)c2C#N)c2ccccc12
InChIInChI=1S/C16H13N5O/c1-22-13-7-6-11(9-4-2-3-5-10(9)13)14-12(8-17)15(18)21-16(19)20-14/h2-7H,1H3,(H4,18,19,20,21)
InChIKeyTVDDRZRTCWVVLX-UHFFFAOYSA-N
XLogP2.34
TPSA110.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-diamino-6-(3-fluoro-4-iodo-2-methoxyphenyl)pyrimidine-5-carbonitrile
CID 169398825
2,4-diamino-6-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]pyrimidine-5-carbonitrile
CID 169397352
2,4-diamino-6-(2-chloro-4-hydroxy-3-methoxyphenyl)pyrimidine-5-carbonitrile
CID 169398514
2,4-diamino-6-(2-hydroxy-4-methoxyphenyl)pyrimidine-5-carbonitrile
CID 169395991
2,4-diamino-6-(2,3-dimethoxy-6-nitrophenyl)pyrimidine-5-carbonitrile
CID 169396946
2,4-diamino-6-(2-chlorophenyl)pyrimidine-5-carbonitrile
CID 169398559
2-amino-6-methoxy-4-(2,3,4-trimethoxyphenyl)pyridine-3,5-dicarbonitrile
CID 6491035
2,4-diamino-6-(4-bromo-3,5-dimethoxyphenyl)pyrimidine-5-carbonitrile
CID 169396166
2-amino-4-(2-methoxyphenyl)-6-methylsulfanylpyrimidine-5-carbonitrile
CID 18507388
2,4-diamino-6-[2-[(3-methoxyphenyl)methoxy]phenyl]pyrimidine-5-carbonitrile
CID 169397344
2,4-diamino-6-(4-methoxy-2-methylsulfonylphenyl)pyrimidine-5-carbonitrile
CID 169397066
2,4-diamino-6-(2-hexoxyphenyl)pyrimidine-5-carbonitrile
CID 169397618

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-(4-methoxynaphthalen-1-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-diamino-6-(4-methoxynaphthalen-1-yl)pyrimidine-5-carbonitrile (CID 169396208) is 2,4-diamino-6-(4-methoxynaphthalen-1-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-diamino-6-(4-methoxynaphthalen-1-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-diamino-6-(4-methoxynaphthalen-1-yl)pyrimidine-5-carbonitrile is COc1ccc(-c2nc(N)nc(N)c2C#N)c2ccccc12.
What is the InChIKey of 2,4-diamino-6-(4-methoxynaphthalen-1-yl)pyrimidine-5-carbonitrile?
The InChIKey is TVDDRZRTCWVVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-22-13-7-6-11(9-4-2-3-5-10(9)13)14-12(8-17)15(18)21-16(19)20-14/h2-7H,1H3,(H4,18,19,20,21).
What are the key properties of 2,4-diamino-6-(4-methoxynaphthalen-1-yl)pyrimidine-5-carbonitrile?
2,4-diamino-6-(4-methoxynaphthalen-1-yl)pyrimidine-5-carbonitrile has a molecular weight of 291.31 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-(4-methoxynaphthalen-1-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 169396208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).