N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-6-oxopyran-3-carboxamide

C13H14N4O3 — CID 122322467

IUPACN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-6-oxopyran-3-carboxamide
SMILESCN(C)c1ccnc(CNC(=O)c2ccc(=O)oc2)n1
InChIInChI=1S/C13H14N4O3/c1-17(2)11-5-6-14-10(16-11)7-15-13(19)9-3-4-12(18)20-8-9/h3-6,8H,7H2,1-2H3,(H,15,19)
InChIKeyDHUUYVSPVOWCIP-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.43
Rot. Bonds4

About N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-6-oxopyran-3-carboxamide

N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-6-oxopyran-3-carboxamide (PubChem CID 122322467) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-6-oxopyran-3-carboxamide
PubChem CID122322467
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC NameN-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-6-oxopyran-3-carboxamide
SMILESCN(C)c1ccnc(CNC(=O)c2ccc(=O)oc2)n1
InChIInChI=1S/C13H14N4O3/c1-17(2)11-5-6-14-10(16-11)7-15-13(19)9-3-4-12(18)20-8-9/h3-6,8H,7H2,1-2H3,(H,15,19)
InChIKeyDHUUYVSPVOWCIP-UHFFFAOYSA-N
XLogP0.43
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-acetyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]benzamide
CID 122322625
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-methylbenzamide
CID 91967035
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-3-carboxamide
CID 122322468
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-fluoro-4-methylbenzamide
CID 122322557
5-bromo-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]furan-2-carboxamide
CID 72718232
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]thiophene-2-carboxamide
CID 72718228
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-5-nitrofuran-2-carboxamide
CID 122322465
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2,4-difluorobenzamide
CID 91967056
4-acetyl-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]benzenesulfonamide
CID 122322642
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-(4-fluorophenoxy)benzamide
CID 122322627
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-oxocyclohexane-1-carboxamide
CID 122322584
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-4-propylthiadiazole-5-carboxamide
CID 122322472

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-6-oxopyran-3-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-6-oxopyran-3-carboxamide (CID 122322467) is N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-6-oxopyran-3-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-6-oxopyran-3-carboxamide is CN(C)c1ccnc(CNC(=O)c2ccc(=O)oc2)n1.
What is the InChIKey of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-6-oxopyran-3-carboxamide?
The InChIKey is DHUUYVSPVOWCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-17(2)11-5-6-14-10(16-11)7-15-13(19)9-3-4-12(18)20-8-9/h3-6,8H,7H2,1-2H3,(H,15,19).
What are the key properties of N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-6-oxopyran-3-carboxamide?
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-6-oxopyran-3-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-6-oxopyran-3-carboxamide is sourced from PubChem (CID 122322467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).