[4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methylamino]-2-propylpyrimidin-5-yl]methanol

C22H23N7O — CID 67751599

IUPAC[4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methylamino]-2-propylpyrimidin-5-yl]methanol
SMILESCCCc1ncc(CO)c(NCc2ccc(-c3ccccc3)c(-c3nn[nH]n3)c2)n1
InChIInChI=1S/C22H23N7O/c1-2-6-20-23-13-17(14-30)21(25-20)24-12-15-9-10-18(16-7-4-3-5-8-16)19(11-15)22-26-28-29-27-22/h3-5,7-11,13,30H,2,6,12,14H2,1H3,(H,23,24,25)(H,26,27,28,29)
InChIKeyANOHXTLPZBLPMX-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.38
Rot. Bonds8

About [4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methylamino]-2-propylpyrimidin-5-yl]methanol

[4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methylamino]-2-propylpyrimidin-5-yl]methanol (PubChem CID 67751599) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is [4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methylamino]-2-propylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methylamino]-2-propylpyrimidin-5-yl]methanol
PubChem CID67751599
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name[4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methylamino]-2-propylpyrimidin-5-yl]methanol
SMILESCCCc1ncc(CO)c(NCc2ccc(-c3ccccc3)c(-c3nn[nH]n3)c2)n1
InChIInChI=1S/C22H23N7O/c1-2-6-20-23-13-17(14-30)21(25-20)24-12-15-9-10-18(16-7-4-3-5-8-16)19(11-15)22-26-28-29-27-22/h3-5,7-11,13,30H,2,6,12,14H2,1H3,(H,23,24,25)(H,26,27,28,29)
InChIKeyANOHXTLPZBLPMX-UHFFFAOYSA-N
XLogP3.38
TPSA112.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidin-5-yl]methanol
CID 15657933
5-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 19009708
CID 67751380
CID 67751380
2-methyl-N-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-6-(trifluoromethyl)pyrimidin-4-amine;hydrate
CID 67835163
[2-butyl-5-chloro-1-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol
CID 67680027
5-chloro-1-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-2-propylimidazole-4-carboxylic acid
CID 67593224
potassium;[2-butyl-5-chloro-3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-4-yl]methanol;hydride
CID 173289798
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
3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-1-propanoyl-4-propylimidazol-2-one
CID 67910659
2-[(3-phenyl-5-propyl-1,2,4-triazol-1-yl)methyl]-5-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976675
[5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol
CID 10388529
ethyl 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidine-5-carboxylate
CID 15658053

Frequently Asked Questions

What is the IUPAC name of [4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methylamino]-2-propylpyrimidin-5-yl]methanol?
The IUPAC name of [4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methylamino]-2-propylpyrimidin-5-yl]methanol (CID 67751599) is [4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methylamino]-2-propylpyrimidin-5-yl]methanol.
What is the SMILES notation for [4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methylamino]-2-propylpyrimidin-5-yl]methanol?
The canonical SMILES for [4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methylamino]-2-propylpyrimidin-5-yl]methanol is CCCc1ncc(CO)c(NCc2ccc(-c3ccccc3)c(-c3nn[nH]n3)c2)n1.
What is the InChIKey of [4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methylamino]-2-propylpyrimidin-5-yl]methanol?
The InChIKey is ANOHXTLPZBLPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-2-6-20-23-13-17(14-30)21(25-20)24-12-15-9-10-18(16-7-4-3-5-8-16)19(11-15)22-26-28-29-27-22/h3-5,7-11,13,30H,2,6,12,14H2,1H3,(H,23,24,25)(H,26,27,28,29).
What are the key properties of [4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methylamino]-2-propylpyrimidin-5-yl]methanol?
[4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methylamino]-2-propylpyrimidin-5-yl]methanol has a molecular weight of 401.47 g/mol, XLogP of 3.38, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methylamino]-2-propylpyrimidin-5-yl]methanol is sourced from PubChem (CID 67751599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).