2-amino-6,8-dimethyl-4-propan-2-yloxypteridin-7-one

C11H15N5O2 — CID 121223000

IUPAC2-amino-6,8-dimethyl-4-propan-2-yloxypteridin-7-one
SMILESCc1nc2c(OC(C)C)nc(N)nc2n(C)c1=O
InChIInChI=1S/C11H15N5O2/c1-5(2)18-9-7-8(14-11(12)15-9)16(4)10(17)6(3)13-7/h5H,1-4H3,(H2,12,14,15)
InChIKeyNRBRWJALLVRRDZ-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.40
Rot. Bonds2

About 2-amino-6,8-dimethyl-4-propan-2-yloxypteridin-7-one

2-amino-6,8-dimethyl-4-propan-2-yloxypteridin-7-one (PubChem CID 121223000) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-amino-6,8-dimethyl-4-propan-2-yloxypteridin-7-one.

Molecular Properties

Compound Name2-amino-6,8-dimethyl-4-propan-2-yloxypteridin-7-one
PubChem CID121223000
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name2-amino-6,8-dimethyl-4-propan-2-yloxypteridin-7-one
SMILESCc1nc2c(OC(C)C)nc(N)nc2n(C)c1=O
InChIInChI=1S/C11H15N5O2/c1-5(2)18-9-7-8(14-11(12)15-9)16(4)10(17)6(3)13-7/h5H,1-4H3,(H2,12,14,15)
InChIKeyNRBRWJALLVRRDZ-UHFFFAOYSA-N
XLogP0.40
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.40
H-Bond Donors ≤ 51
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-6-cyano-7-hydroxy-4-isopropyloxy-
CID 121216124
Pteridine, 2-amino-7-hydroxy-4-isopropyloxy-
CID 129681637
2-amino-4-methoxy-8-methyl-7(8H)-pteridinone
CID 130016801
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-ethoxycarbonyl-7,8-dihydro-4-methoxy-8-methyl-7-oxo-
CID 171384257
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-6,8-dimethyl-4-propan-2-yloxypteridin-7-one?
The IUPAC name of 2-amino-6,8-dimethyl-4-propan-2-yloxypteridin-7-one (CID 121223000) is 2-amino-6,8-dimethyl-4-propan-2-yloxypteridin-7-one.
What is the SMILES notation for 2-amino-6,8-dimethyl-4-propan-2-yloxypteridin-7-one?
The canonical SMILES for 2-amino-6,8-dimethyl-4-propan-2-yloxypteridin-7-one is Cc1nc2c(OC(C)C)nc(N)nc2n(C)c1=O.
What is the InChIKey of 2-amino-6,8-dimethyl-4-propan-2-yloxypteridin-7-one?
The InChIKey is NRBRWJALLVRRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-5(2)18-9-7-8(14-11(12)15-9)16(4)10(17)6(3)13-7/h5H,1-4H3,(H2,12,14,15).
What are the key properties of 2-amino-6,8-dimethyl-4-propan-2-yloxypteridin-7-one?
2-amino-6,8-dimethyl-4-propan-2-yloxypteridin-7-one has a molecular weight of 249.27 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6,8-dimethyl-4-propan-2-yloxypteridin-7-one is sourced from PubChem (CID 121223000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).