2,4-diamino-6-(2,4-dihydroxyphenyl)pyrimidine-5-carbonitrile

C11H9N5O2 — CID 169395987

IUPAC2,4-diamino-6-(2,4-dihydroxyphenyl)pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(N)nc1-c1ccc(O)cc1O
InChIInChI=1S/C11H9N5O2/c12-4-7-9(15-11(14)16-10(7)13)6-2-1-5(17)3-8(6)18/h1-3,17-18H,(H4,13,14,15,16)
InChIKeyJPOOYBBQNOXJTA-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.59
Rot. Bonds1

About 2,4-diamino-6-(2,4-dihydroxyphenyl)pyrimidine-5-carbonitrile

2,4-diamino-6-(2,4-dihydroxyphenyl)pyrimidine-5-carbonitrile (PubChem CID 169395987) has the molecular formula C11H9N5O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is 2,4-diamino-6-(2,4-dihydroxyphenyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-6-(2,4-dihydroxyphenyl)pyrimidine-5-carbonitrile
PubChem CID169395987
Molecular FormulaC11H9N5O2
Molecular Weight243.23 g/mol
Exact Mass243.08
IUPAC Name2,4-diamino-6-(2,4-dihydroxyphenyl)pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(N)nc1-c1ccc(O)cc1O
InChIInChI=1S/C11H9N5O2/c12-4-7-9(15-11(14)16-10(7)13)6-2-1-5(17)3-8(6)18/h1-3,17-18H,(H4,13,14,15,16)
InChIKeyJPOOYBBQNOXJTA-UHFFFAOYSA-N
XLogP0.59
TPSA142.07 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-diamino-6-(2-hydroxy-4-methoxyphenyl)pyrimidine-5-carbonitrile
CID 169395991
2,4-diamino-6-(5-hydroxy-2-iodophenyl)pyrimidine-5-carbonitrile
CID 169397267
2,4-diamino-6-(2,3,4-trihydroxyphenyl)pyrimidine-5-carbonitrile
CID 169396057
[3-(2,6-diamino-5-cyanopyrimidin-4-yl)-4-hydroxyphenyl]boronic acid
CID 169398910
2,4-diamino-6-(2-chloro-4-hydroxy-3-methoxyphenyl)pyrimidine-5-carbonitrile
CID 169398514
2,4-diamino-6-(2,3-difluoro-6-hydroxyphenyl)pyrimidine-5-carbonitrile
CID 169398963
2,4-diamino-6-(3-bromo-4-hydroxyphenyl)pyrimidine-5-carbonitrile
CID 169396130
2,4-diamino-6-(2-chloro-4-fluorophenyl)pyrimidine-5-carbonitrile
CID 169396041
2,4-diamino-6-(4-bromo-2-methylphenyl)pyrimidine-5-carbonitrile
CID 169396212
2,4-diamino-6-(2-hydroxy-4-methyl-5-nitrophenyl)pyrimidine-5-carbonitrile
CID 169396938
2,4-diamino-6-(3-bromo-2,4-difluorophenyl)pyrimidine-5-carbonitrile
CID 169397709
2-(2,6-diamino-5-cyanopyrimidin-4-yl)-5-iodobenzoic acid
CID 169396965

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-(2,4-dihydroxyphenyl)pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-diamino-6-(2,4-dihydroxyphenyl)pyrimidine-5-carbonitrile (CID 169395987) is 2,4-diamino-6-(2,4-dihydroxyphenyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-diamino-6-(2,4-dihydroxyphenyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-diamino-6-(2,4-dihydroxyphenyl)pyrimidine-5-carbonitrile is N#Cc1c(N)nc(N)nc1-c1ccc(O)cc1O.
What is the InChIKey of 2,4-diamino-6-(2,4-dihydroxyphenyl)pyrimidine-5-carbonitrile?
The InChIKey is JPOOYBBQNOXJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2/c12-4-7-9(15-11(14)16-10(7)13)6-2-1-5(17)3-8(6)18/h1-3,17-18H,(H4,13,14,15,16).
What are the key properties of 2,4-diamino-6-(2,4-dihydroxyphenyl)pyrimidine-5-carbonitrile?
2,4-diamino-6-(2,4-dihydroxyphenyl)pyrimidine-5-carbonitrile has a molecular weight of 243.23 g/mol, XLogP of 0.59, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-(2,4-dihydroxyphenyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 169395987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).