[4-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl)cyclohexyl]urea

C15H21N5O3 — CID 155948113

IUPAC[4-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl)cyclohexyl]urea
SMILESNC(=O)NC1CCC(C(=O)N2CCc3c(nc[nH]c3=O)C2)CC1
InChIInChI=1S/C15H21N5O3/c16-15(23)19-10-3-1-9(2-4-10)14(22)20-6-5-11-12(7-20)17-8-18-13(11)21/h8-10H,1-7H2,(H3,16,19,23)(H,17,18,21)
InChIKeyZKILFUFVLFFNSG-UHFFFAOYSA-N
MW319.37 g/mol
LogP-0.12
Rot. Bonds2

About [4-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl)cyclohexyl]urea

[4-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl)cyclohexyl]urea (PubChem CID 155948113) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is [4-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl)cyclohexyl]urea.

Molecular Properties

Compound Name[4-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl)cyclohexyl]urea
PubChem CID155948113
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name[4-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl)cyclohexyl]urea
SMILESNC(=O)NC1CCC(C(=O)N2CCc3c(nc[nH]c3=O)C2)CC1
InChIInChI=1S/C15H21N5O3/c16-15(23)19-10-3-1-9(2-4-10)14(22)20-6-5-11-12(7-20)17-8-18-13(11)21/h8-10H,1-7H2,(H3,16,19,23)(H,17,18,21)
InChIKeyZKILFUFVLFFNSG-UHFFFAOYSA-N
XLogP-0.12
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl)cyclohexyl]urea?
The IUPAC name of [4-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl)cyclohexyl]urea (CID 155948113) is [4-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl)cyclohexyl]urea.
What is the SMILES notation for [4-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl)cyclohexyl]urea?
The canonical SMILES for [4-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl)cyclohexyl]urea is NC(=O)NC1CCC(C(=O)N2CCc3c(nc[nH]c3=O)C2)CC1.
What is the InChIKey of [4-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl)cyclohexyl]urea?
The InChIKey is ZKILFUFVLFFNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c16-15(23)19-10-3-1-9(2-4-10)14(22)20-6-5-11-12(7-20)17-8-18-13(11)21/h8-10H,1-7H2,(H3,16,19,23)(H,17,18,21).
What are the key properties of [4-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl)cyclohexyl]urea?
[4-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl)cyclohexyl]urea has a molecular weight of 319.37 g/mol, XLogP of -0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl)cyclohexyl]urea is sourced from PubChem (CID 155948113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).