[2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidin-5-yl]methanol

C23H25N7O — CID 15657933

IUPAC[2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidin-5-yl]methanol
SMILESCCCCc1ncc(CO)c(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n1
InChIInChI=1S/C23H25N7O/c1-2-3-8-21-24-14-18(15-31)22(26-21)25-13-16-9-11-17(12-10-16)19-6-4-5-7-20(19)23-27-29-30-28-23/h4-7,9-12,14,31H,2-3,8,13,15H2,1H3,(H,24,25,26)(H,27,28,29,30)
InChIKeyKPARIZWCATXKIK-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.77
Rot. Bonds9

About [2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidin-5-yl]methanol

[2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidin-5-yl]methanol (PubChem CID 15657933) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is [2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidin-5-yl]methanol
PubChem CID15657933
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name[2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidin-5-yl]methanol
SMILESCCCCc1ncc(CO)c(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n1
InChIInChI=1S/C23H25N7O/c1-2-3-8-21-24-14-18(15-31)22(26-21)25-13-16-9-11-17(12-10-16)19-6-4-5-7-20(19)23-27-29-30-28-23/h4-7,9-12,14,31H,2-3,8,13,15H2,1H3,(H,24,25,26)(H,27,28,29,30)
InChIKeyKPARIZWCATXKIK-UHFFFAOYSA-N
XLogP3.77
TPSA112.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methylamino]-2-propylpyrimidin-5-yl]methanol
CID 67751599
5-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 19009708
CID 67751380
CID 67751380
2-butyl-4-N-methyl-4-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidine-4,5-diamine
CID 19791924
5-[2-(4-decylphenyl)phenyl]-2H-tetrazole;[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanol
CID 67613787
ethyl 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidine-5-carboxylate
CID 15658053
5-[2-[4-[(3,5-dipentyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903608
5-[2-[4-[(2-tert-butyl-5-pentyl-1,2,4-triazol-3-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19750672
[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
CID 3961
5-[2-[4-[(5-ethyl-3-pentyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903876
[5-butyl-4-chloro-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-yl]methanol
CID 70684421
5-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-[1,2,4]triazolo[1,5-c]pyrimidin-2-one
CID 69183934

Frequently Asked Questions

What is the IUPAC name of [2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidin-5-yl]methanol?
The IUPAC name of [2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidin-5-yl]methanol (CID 15657933) is [2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidin-5-yl]methanol?
The canonical SMILES for [2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidin-5-yl]methanol is CCCCc1ncc(CO)c(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n1.
What is the InChIKey of [2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidin-5-yl]methanol?
The InChIKey is KPARIZWCATXKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-2-3-8-21-24-14-18(15-31)22(26-21)25-13-16-9-11-17(12-10-16)19-6-4-5-7-20(19)23-27-29-30-28-23/h4-7,9-12,14,31H,2-3,8,13,15H2,1H3,(H,24,25,26)(H,27,28,29,30).
What are the key properties of [2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidin-5-yl]methanol?
[2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidin-5-yl]methanol has a molecular weight of 415.50 g/mol, XLogP of 3.77, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidin-5-yl]methanol is sourced from PubChem (CID 15657933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).