N-[1-(6-methoxynaphthalen-2-yl)ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide

C22H23N5O3 — CID 139268015

IUPACN-[1-(6-methoxynaphthalen-2-yl)ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
SMILESCOc1ccc2cc(C(C)NC(=O)C3CC(=O)NC(c4ncccn4)N3)ccc2c1
InChIInChI=1S/C22H23N5O3/c1-13(14-4-5-16-11-17(30-2)7-6-15(16)10-14)25-22(29)18-12-19(28)27-21(26-18)20-23-8-3-9-24-20/h3-11,13,18,21,26H,12H2,1-2H3,(H,25,29)(H,27,28)
InChIKeyRAGZRZYTIRNAHT-UHFFFAOYSA-N
MW405.46 g/mol
LogP1.99
Rot. Bonds5

About N-[1-(6-methoxynaphthalen-2-yl)ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide

N-[1-(6-methoxynaphthalen-2-yl)ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide (PubChem CID 139268015) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[1-(6-methoxynaphthalen-2-yl)ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound NameN-[1-(6-methoxynaphthalen-2-yl)ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
PubChem CID139268015
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC NameN-[1-(6-methoxynaphthalen-2-yl)ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
SMILESCOc1ccc2cc(C(C)NC(=O)C3CC(=O)NC(c4ncccn4)N3)ccc2c1
InChIInChI=1S/C22H23N5O3/c1-13(14-4-5-16-11-17(30-2)7-6-15(16)10-14)25-22(29)18-12-19(28)27-21(26-18)20-23-8-3-9-24-20/h3-11,13,18,21,26H,12H2,1-2H3,(H,25,29)(H,27,28)
InChIKeyRAGZRZYTIRNAHT-UHFFFAOYSA-N
XLogP1.99
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methoxynaphthalen-2-yl)ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide?
The IUPAC name of N-[1-(6-methoxynaphthalen-2-yl)ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide (CID 139268015) is N-[1-(6-methoxynaphthalen-2-yl)ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide.
What is the SMILES notation for N-[1-(6-methoxynaphthalen-2-yl)ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide?
The canonical SMILES for N-[1-(6-methoxynaphthalen-2-yl)ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide is COc1ccc2cc(C(C)NC(=O)C3CC(=O)NC(c4ncccn4)N3)ccc2c1.
What is the InChIKey of N-[1-(6-methoxynaphthalen-2-yl)ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide?
The InChIKey is RAGZRZYTIRNAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-13(14-4-5-16-11-17(30-2)7-6-15(16)10-14)25-22(29)18-12-19(28)27-21(26-18)20-23-8-3-9-24-20/h3-11,13,18,21,26H,12H2,1-2H3,(H,25,29)(H,27,28).
What are the key properties of N-[1-(6-methoxynaphthalen-2-yl)ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide?
N-[1-(6-methoxynaphthalen-2-yl)ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methoxynaphthalen-2-yl)ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139268015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).