2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carbonitrile

C10H10N6O2 — CID 121216124

IUPAC2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carbonitrile
SMILESCC(C)Oc1nc(N)nc2[nH]c(=O)c(C#N)nc12
InChIInChI=1S/C10H10N6O2/c1-4(2)18-9-6-7(15-10(12)16-9)14-8(17)5(3-11)13-6/h4H,1-2H3,(H3,12,14,15,16,17)
InChIKeyBASHCXYOEMSCFB-UHFFFAOYSA-N
MW246.23 g/mol
LogP-0.05
Rot. Bonds2

About 2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carbonitrile

2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carbonitrile (PubChem CID 121216124) has the molecular formula C10H10N6O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carbonitrile.

Molecular Properties

Compound Name2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carbonitrile
PubChem CID121216124
Molecular FormulaC10H10N6O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carbonitrile
SMILESCC(C)Oc1nc(N)nc2[nH]c(=O)c(C#N)nc12
InChIInChI=1S/C10H10N6O2/c1-4(2)18-9-6-7(15-10(12)16-9)14-8(17)5(3-11)13-6/h4H,1-2H3,(H3,12,14,15,16,17)
InChIKeyBASHCXYOEMSCFB-UHFFFAOYSA-N
XLogP-0.05
TPSA130.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6,7-Dimethyl-7H-pyrimido[4,5-b][1,4]oxazine-2,4-diamine
CID 12517703
2-amino-4-isopropoxy-6-methyl-7(8H)-pteridinone
CID 23849787
Pteridine, 2-amino-7,8-dihydro-4-isopropyloxy-6,8-dimethyl-7-oxo-
CID 121223000
Pteridine, 2-amino-7-hydroxy-4-isopropyloxy-
CID 129681637
Pteridine, 2-amino-7,8-dihydro-6-hydroxy-4-isopropyloxy-8-methyl-7-oxo-
CID 171383924
Pteridine, 2-amino-7,8-dihydro-8-(2-hydroxyethyl)-4-isopropyloxy-6-methyl-7-oxo-
CID 171383937
Pteridine, 2-amino-6-ethoxycarbonyl-7-hydroxy-4-isopropyloxy-
CID 171384003
Pteridine, 2-amino-6,7-dihydroxy-4-isopropyloxy-
CID 171384290
Pteridine, 2-amino-6-carboxy-7-hydroxy-4-isopropyloxy-
CID 171384463
Pteridine, 2-amino-6-ethoxycarbonyl-7,8-dihydro-4-isopropyloxy-8-methyl-7-oxo-
CID 171384635
Pteridine, 2-amino-6-carboxy-7,8-dihydro-4-isopropyloxy-8-methyl-7-oxo-
CID 171384653
Pteridine, 2-amino-7,8-dihydro-4-isopropyloxy-8-methyl-7-oxo-
CID 171384888

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carbonitrile?
The IUPAC name of 2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carbonitrile (CID 121216124) is 2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carbonitrile.
What is the SMILES notation for 2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carbonitrile?
The canonical SMILES for 2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carbonitrile is CC(C)Oc1nc(N)nc2[nH]c(=O)c(C#N)nc12.
What is the InChIKey of 2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carbonitrile?
The InChIKey is BASHCXYOEMSCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O2/c1-4(2)18-9-6-7(15-10(12)16-9)14-8(17)5(3-11)13-6/h4H,1-2H3,(H3,12,14,15,16,17).
What are the key properties of 2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carbonitrile?
2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carbonitrile has a molecular weight of 246.23 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carbonitrile is sourced from PubChem (CID 121216124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).