2-(1-adamantyl)-N,N-diethyl-6-oxo-1H-pyrimidine-5-carboxamide

C19H27N3O2 — CID 70709004

IUPAC2-(1-adamantyl)-N,N-diethyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O
InChIInChI=1S/C19H27N3O2/c1-3-22(4-2)17(24)15-11-20-18(21-16(15)23)19-8-12-5-13(9-19)7-14(6-12)10-19/h11-14H,3-10H2,1-2H3,(H,20,21,23)
InChIKeyRDTCLYUWYJZYNA-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.72
Rot. Bonds4

About 2-(1-adamantyl)-N,N-diethyl-6-oxo-1H-pyrimidine-5-carboxamide

2-(1-adamantyl)-N,N-diethyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 70709004) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-(1-adamantyl)-N,N-diethyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N,N-diethyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID70709004
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name2-(1-adamantyl)-N,N-diethyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O
InChIInChI=1S/C19H27N3O2/c1-3-22(4-2)17(24)15-11-20-18(21-16(15)23)19-8-12-5-13(9-19)7-14(6-12)10-19/h11-14H,3-10H2,1-2H3,(H,20,21,23)
InChIKeyRDTCLYUWYJZYNA-UHFFFAOYSA-N
XLogP2.72
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N,N-diethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-(1-adamantyl)-N,N-diethyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 70709004) is 2-(1-adamantyl)-N,N-diethyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(1-adamantyl)-N,N-diethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-(1-adamantyl)-N,N-diethyl-6-oxo-1H-pyrimidine-5-carboxamide is CCN(CC)C(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O.
What is the InChIKey of 2-(1-adamantyl)-N,N-diethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is RDTCLYUWYJZYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-22(4-2)17(24)15-11-20-18(21-16(15)23)19-8-12-5-13(9-19)7-14(6-12)10-19/h11-14H,3-10H2,1-2H3,(H,20,21,23).
What are the key properties of 2-(1-adamantyl)-N,N-diethyl-6-oxo-1H-pyrimidine-5-carboxamide?
2-(1-adamantyl)-N,N-diethyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N,N-diethyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70709004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).