3-butyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione

C25H28N6O2 — CID 67846397

IUPAC3-butyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione
SMILESCCCCn1c(=O)cc(CCC)n(Cc2ccccc2-c2ccccc2-c2nn[nH]n2)c1=O
InChIInChI=1S/C25H28N6O2/c1-3-5-15-30-23(32)16-19(10-4-2)31(25(30)33)17-18-11-6-7-12-20(18)21-13-8-9-14-22(21)24-26-28-29-27-24/h6-9,11-14,16H,3-5,10,15,17H2,1-2H3,(H,26,27,28,29)
InChIKeyKVMRVDDRALMNIO-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.66
Rot. Bonds9

About 3-butyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione

3-butyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione (PubChem CID 67846397) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 3-butyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-butyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione
PubChem CID67846397
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name3-butyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione
SMILESCCCCn1c(=O)cc(CCC)n(Cc2ccccc2-c2ccccc2-c2nn[nH]n2)c1=O
InChIInChI=1S/C25H28N6O2/c1-3-5-15-30-23(32)16-19(10-4-2)31(25(30)33)17-18-11-6-7-12-20(18)21-13-8-9-14-22(21)24-26-28-29-27-24/h6-9,11-14,16H,3-5,10,15,17H2,1-2H3,(H,26,27,28,29)
InChIKeyKVMRVDDRALMNIO-UHFFFAOYSA-N
XLogP3.66
TPSA98.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-benzyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione
CID 67846425
2-butyl-4-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6H-imidazo[4,5-d]pyridazin-7-one
CID 54252997
2-butyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one
CID 67882947
1-butyl-4-propyl-3-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]imidazol-2-one
CID 18384951
1-(4-methyl-1,2,4-triazol-3-yl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19383292
2-butyl-1-[[2-cyano-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6-oxopyridine-4-carboxylic acid
CID 54193978
6-methylsulfanyl-3-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione
CID 19811549
4-butyl-1-(1-methyl-4-propan-2-ylpyrazol-5-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19383941
1-(1-propan-2-yltetrazol-5-yl)-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19383496
4-butyl-1-(2-ethylpyrazol-3-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19384125
4-butyl-1-[3-(hydroxymethyl)-1-methylpyrrol-2-yl]-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 19383695
4-butyl-1-(2,8-diethylcyclooctyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]methyl]imidazol-2-one
CID 67809595

Frequently Asked Questions

What is the IUPAC name of 3-butyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 3-butyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione (CID 67846397) is 3-butyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 3-butyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 3-butyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione is CCCCn1c(=O)cc(CCC)n(Cc2ccccc2-c2ccccc2-c2nn[nH]n2)c1=O.
What is the InChIKey of 3-butyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione?
The InChIKey is KVMRVDDRALMNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-3-5-15-30-23(32)16-19(10-4-2)31(25(30)33)17-18-11-6-7-12-20(18)21-13-8-9-14-22(21)24-26-28-29-27-24/h6-9,11-14,16H,3-5,10,15,17H2,1-2H3,(H,26,27,28,29).
What are the key properties of 3-butyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione?
3-butyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione has a molecular weight of 444.54 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-6-propyl-1-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 67846397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).