[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]methylcarbamic acid

C19H24N6O3 — CID 70922068

IUPAC[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]methylcarbamic acid
SMILESCCC1C(=O)N(C)c2cnc(-c3ccncc3CNC(=O)O)nc2N1C(C)C
InChIInChI=1S/C19H24N6O3/c1-5-14-18(26)24(4)15-10-21-16(23-17(15)25(14)11(2)3)13-6-7-20-8-12(13)9-22-19(27)28/h6-8,10-11,14,22H,5,9H2,1-4H3,(H,27,28)
InChIKeyBNWFRTUSGWIAMD-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.28
Rot. Bonds5

About [4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]methylcarbamic acid

[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]methylcarbamic acid (PubChem CID 70922068) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is [4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]methylcarbamic acid.

Molecular Properties

Compound Name[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]methylcarbamic acid
PubChem CID70922068
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]methylcarbamic acid
SMILESCCC1C(=O)N(C)c2cnc(-c3ccncc3CNC(=O)O)nc2N1C(C)C
InChIInChI=1S/C19H24N6O3/c1-5-14-18(26)24(4)15-10-21-16(23-17(15)25(14)11(2)3)13-6-7-20-8-12(13)9-22-19(27)28/h6-8,10-11,14,22H,5,9H2,1-4H3,(H,27,28)
InChIKeyBNWFRTUSGWIAMD-UHFFFAOYSA-N
XLogP2.28
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]methylcarbamic acid?
The IUPAC name of [4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]methylcarbamic acid (CID 70922068) is [4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]methylcarbamic acid.
What is the SMILES notation for [4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]methylcarbamic acid?
The canonical SMILES for [4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]methylcarbamic acid is CCC1C(=O)N(C)c2cnc(-c3ccncc3CNC(=O)O)nc2N1C(C)C.
What is the InChIKey of [4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]methylcarbamic acid?
The InChIKey is BNWFRTUSGWIAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-5-14-18(26)24(4)15-10-21-16(23-17(15)25(14)11(2)3)13-6-7-20-8-12(13)9-22-19(27)28/h6-8,10-11,14,22H,5,9H2,1-4H3,(H,27,28).
What are the key properties of [4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]methylcarbamic acid?
[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]methylcarbamic acid has a molecular weight of 384.44 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]methylcarbamic acid is sourced from PubChem (CID 70922068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).