N-(2,6-dimethoxypyrimidin-4-yl)-3-(tetrazol-1-yl)propanamide

C10H13N7O3 — CID 5300007

IUPACN-(2,6-dimethoxypyrimidin-4-yl)-3-(tetrazol-1-yl)propanamide
SMILESCOc1cc(NC(=O)CCn2cnnn2)nc(OC)n1
InChIInChI=1S/C10H13N7O3/c1-19-9-5-7(13-10(14-9)20-2)12-8(18)3-4-17-6-11-15-16-17/h5-6H,3-4H2,1-2H3,(H,12,13,14,18)
InChIKeyTXHHRLBOKOKGSO-UHFFFAOYSA-N
MW279.26 g/mol
LogP-0.49
Rot. Bonds6

About N-(2,6-dimethoxypyrimidin-4-yl)-3-(tetrazol-1-yl)propanamide

N-(2,6-dimethoxypyrimidin-4-yl)-3-(tetrazol-1-yl)propanamide (PubChem CID 5300007) has the molecular formula C10H13N7O3 and a molecular weight of 279.26 g/mol. Its IUPAC name is N-(2,6-dimethoxypyrimidin-4-yl)-3-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,6-dimethoxypyrimidin-4-yl)-3-(tetrazol-1-yl)propanamide
PubChem CID5300007
Molecular FormulaC10H13N7O3
Molecular Weight279.26 g/mol
Exact Mass279.11
IUPAC NameN-(2,6-dimethoxypyrimidin-4-yl)-3-(tetrazol-1-yl)propanamide
SMILESCOc1cc(NC(=O)CCn2cnnn2)nc(OC)n1
InChIInChI=1S/C10H13N7O3/c1-19-9-5-7(13-10(14-9)20-2)12-8(18)3-4-17-6-11-15-16-17/h5-6H,3-4H2,1-2H3,(H,12,13,14,18)
InChIKeyTXHHRLBOKOKGSO-UHFFFAOYSA-N
XLogP-0.49
TPSA116.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethoxypyrimidin-4-yl)-3-(tetrazol-1-yl)propanamide?
The IUPAC name of N-(2,6-dimethoxypyrimidin-4-yl)-3-(tetrazol-1-yl)propanamide (CID 5300007) is N-(2,6-dimethoxypyrimidin-4-yl)-3-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-(2,6-dimethoxypyrimidin-4-yl)-3-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-(2,6-dimethoxypyrimidin-4-yl)-3-(tetrazol-1-yl)propanamide is COc1cc(NC(=O)CCn2cnnn2)nc(OC)n1.
What is the InChIKey of N-(2,6-dimethoxypyrimidin-4-yl)-3-(tetrazol-1-yl)propanamide?
The InChIKey is TXHHRLBOKOKGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7O3/c1-19-9-5-7(13-10(14-9)20-2)12-8(18)3-4-17-6-11-15-16-17/h5-6H,3-4H2,1-2H3,(H,12,13,14,18).
What are the key properties of N-(2,6-dimethoxypyrimidin-4-yl)-3-(tetrazol-1-yl)propanamide?
N-(2,6-dimethoxypyrimidin-4-yl)-3-(tetrazol-1-yl)propanamide has a molecular weight of 279.26 g/mol, XLogP of -0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethoxypyrimidin-4-yl)-3-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 5300007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).