1-[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]ethylcarbamic acid

C20H26N6O3 — CID 67369407

IUPAC1-[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]ethylcarbamic acid
SMILESCCC1C(=O)N(C)c2cnc(-c3ccncc3C(C)NC(=O)O)nc2N1C(C)C
InChIInChI=1S/C20H26N6O3/c1-6-15-19(27)25(5)16-10-22-17(24-18(16)26(15)11(2)3)13-7-8-21-9-14(13)12(4)23-20(28)29/h7-12,15,23H,6H2,1-5H3,(H,28,29)
InChIKeyUQCQHIOOPVYUFU-UHFFFAOYSA-N
MW398.47 g/mol
LogP2.84
Rot. Bonds5

About 1-[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]ethylcarbamic acid

1-[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]ethylcarbamic acid (PubChem CID 67369407) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is 1-[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]ethylcarbamic acid.

Molecular Properties

Compound Name1-[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]ethylcarbamic acid
PubChem CID67369407
Molecular FormulaC20H26N6O3
Molecular Weight398.47 g/mol
Exact Mass398.21
IUPAC Name1-[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]ethylcarbamic acid
SMILESCCC1C(=O)N(C)c2cnc(-c3ccncc3C(C)NC(=O)O)nc2N1C(C)C
InChIInChI=1S/C20H26N6O3/c1-6-15-19(27)25(5)16-10-22-17(24-18(16)26(15)11(2)3)13-7-8-21-9-14(13)12(4)23-20(28)29/h7-12,15,23H,6H2,1-5H3,(H,28,29)
InChIKeyUQCQHIOOPVYUFU-UHFFFAOYSA-N
XLogP2.84
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]ethylcarbamic acid with MolForge

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Launch Full Analysis

Related Compounds

[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]methylcarbamic acid
CID 70922068
(7R)-2-(3-amino-4-pyridinyl)-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one;benzenesulfonyl chloride;N-[4-[(7R)-7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl]-3-pyridinyl]benzenesulfonamide
CID 158418365
(7R)-7-ethyl-2-hydrazinyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one
CID 58405428
2-(1,3-diimino-1-phenylpropan-2-yl)-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one
CID 123696799
7-ethyl-5-methyl-8-propan-2-yl-2-[4-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]-7H-pteridin-6-one
CID 67260275
(7R)-7-ethyl-5-methyl-8-propan-2-yl-2-[5-(1,3-thiazol-2-yl)-1,2-oxazol-4-yl]-7H-pteridin-6-one
CID 58405573
7-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8-propan-2-yl-7H-pteridin-6-one
CID 67253848
5-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-4-(4-fluorophenyl)-1,3-thiazole-2-carbonitrile
CID 67252236
(7R)-7-ethyl-5-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]-8-propan-2-yl-7H-pteridin-6-one
CID 58405382
2-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-(4-fluorophenyl)-3-oxopropanal
CID 76778028
(7R)-8-cyclobutyl-7-ethyl-5-methyl-2-(3-phenyl-4-pyridinyl)-7H-pteridin-6-one
CID 58405739
methyl N-[[4-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-3-pyridinyl]methyl]carbamate
CID 77446170

Frequently Asked Questions

What is the IUPAC name of 1-[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]ethylcarbamic acid?
The IUPAC name of 1-[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]ethylcarbamic acid (CID 67369407) is 1-[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]ethylcarbamic acid.
What is the SMILES notation for 1-[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]ethylcarbamic acid?
The canonical SMILES for 1-[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]ethylcarbamic acid is CCC1C(=O)N(C)c2cnc(-c3ccncc3C(C)NC(=O)O)nc2N1C(C)C.
What is the InChIKey of 1-[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]ethylcarbamic acid?
The InChIKey is UQCQHIOOPVYUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3/c1-6-15-19(27)25(5)16-10-22-17(24-18(16)26(15)11(2)3)13-7-8-21-9-14(13)12(4)23-20(28)29/h7-12,15,23H,6H2,1-5H3,(H,28,29).
What are the key properties of 1-[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]ethylcarbamic acid?
1-[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]ethylcarbamic acid has a molecular weight of 398.47 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]ethylcarbamic acid is sourced from PubChem (CID 67369407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).