2-amino-8-(2-hydroxyethyl)-6-methyl-4-propan-2-yloxypteridin-7-one

C12H17N5O3 — CID 171383937

IUPAC2-amino-8-(2-hydroxyethyl)-6-methyl-4-propan-2-yloxypteridin-7-one
SMILESCc1nc2c(OC(C)C)nc(N)nc2n(CCO)c1=O
InChIInChI=1S/C12H17N5O3/c1-6(2)20-10-8-9(15-12(13)16-10)17(4-5-18)11(19)7(3)14-8/h6,18H,4-5H2,1-3H3,(H2,13,15,16)
InChIKeySXJRKZKMRISABM-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.14
Rot. Bonds4

About 2-amino-8-(2-hydroxyethyl)-6-methyl-4-propan-2-yloxypteridin-7-one

2-amino-8-(2-hydroxyethyl)-6-methyl-4-propan-2-yloxypteridin-7-one (PubChem CID 171383937) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-amino-8-(2-hydroxyethyl)-6-methyl-4-propan-2-yloxypteridin-7-one.

Molecular Properties

Compound Name2-amino-8-(2-hydroxyethyl)-6-methyl-4-propan-2-yloxypteridin-7-one
PubChem CID171383937
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC Name2-amino-8-(2-hydroxyethyl)-6-methyl-4-propan-2-yloxypteridin-7-one
SMILESCc1nc2c(OC(C)C)nc(N)nc2n(CCO)c1=O
InChIInChI=1S/C12H17N5O3/c1-6(2)20-10-8-9(15-12(13)16-10)17(4-5-18)11(19)7(3)14-8/h6,18H,4-5H2,1-3H3,(H2,13,15,16)
InChIKeySXJRKZKMRISABM-UHFFFAOYSA-N
XLogP-0.14
TPSA116.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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-7,8-dihydro-4-isopropyloxy-6,8-dimethyl-7-oxo-
CID 121223000
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-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
2,4-dimethoxy-6-methyl-7(8H)-pteridinone
CID 822294

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-(2-hydroxyethyl)-6-methyl-4-propan-2-yloxypteridin-7-one?
The IUPAC name of 2-amino-8-(2-hydroxyethyl)-6-methyl-4-propan-2-yloxypteridin-7-one (CID 171383937) is 2-amino-8-(2-hydroxyethyl)-6-methyl-4-propan-2-yloxypteridin-7-one.
What is the SMILES notation for 2-amino-8-(2-hydroxyethyl)-6-methyl-4-propan-2-yloxypteridin-7-one?
The canonical SMILES for 2-amino-8-(2-hydroxyethyl)-6-methyl-4-propan-2-yloxypteridin-7-one is Cc1nc2c(OC(C)C)nc(N)nc2n(CCO)c1=O.
What is the InChIKey of 2-amino-8-(2-hydroxyethyl)-6-methyl-4-propan-2-yloxypteridin-7-one?
The InChIKey is SXJRKZKMRISABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c1-6(2)20-10-8-9(15-12(13)16-10)17(4-5-18)11(19)7(3)14-8/h6,18H,4-5H2,1-3H3,(H2,13,15,16).
What are the key properties of 2-amino-8-(2-hydroxyethyl)-6-methyl-4-propan-2-yloxypteridin-7-one?
2-amino-8-(2-hydroxyethyl)-6-methyl-4-propan-2-yloxypteridin-7-one has a molecular weight of 279.30 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-(2-hydroxyethyl)-6-methyl-4-propan-2-yloxypteridin-7-one is sourced from PubChem (CID 171383937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).