5-bromo-4-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine

C10H12BrN7 — CID 99777771

IUPAC5-bromo-4-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine
SMILESBrc1cncnc1N1CCC[C@H](c2nn[nH]n2)C1
InChIInChI=1S/C10H12BrN7/c11-8-4-12-6-13-10(8)18-3-1-2-7(5-18)9-14-16-17-15-9/h4,6-7H,1-3,5H2,(H,14,15,16,17)/t7-/m0/s1
InChIKeyCZPNANMZXYWDPG-ZETCQYMHSA-N
MW310.16 g/mol
LogP1.14
Rot. Bonds2

About 5-bromo-4-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine

5-bromo-4-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine (PubChem CID 99777771) has the molecular formula C10H12BrN7 and a molecular weight of 310.16 g/mol. Its IUPAC name is 5-bromo-4-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-bromo-4-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine
PubChem CID99777771
Molecular FormulaC10H12BrN7
Molecular Weight310.16 g/mol
Exact Mass309.03
IUPAC Name5-bromo-4-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine
SMILESBrc1cncnc1N1CCC[C@H](c2nn[nH]n2)C1
InChIInChI=1S/C10H12BrN7/c11-8-4-12-6-13-10(8)18-3-1-2-7(5-18)9-14-16-17-15-9/h4,6-7H,1-3,5H2,(H,14,15,16,17)/t7-/m0/s1
InChIKeyCZPNANMZXYWDPG-ZETCQYMHSA-N
XLogP1.14
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-propan-2-yl-4-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine
CID 164640440
[5-Bromo-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]hydrazine
CID 80925546
5-fluoro-2-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine
CID 136516806
5-fluoro-N,N-dimethyl-2-[3-(4H-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-amine
CID 137342861
3-(5-Bromopyrimidin-2-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 167942900
1-(5-Bromopyrimidin-4-yl)-1-(cyclopentylmethyl)hydrazine
CID 69399406
4-[Amino(cyclopentylmethyl)amino]-5-bromopyrimidine-2-carbonitrile
CID 69499218
5-bromo-N-piperidin-1-ylpyrimidin-4-amine
CID 81333698
2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine
CID 86795052
[2-[4-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidin-5-yl]boronic acid
CID 125504766
5-Bromo-2-methyl-4-(3-methylpiperidin-1-yl)pyrimidine
CID 130698201
[1-(8-Bromo-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)piperidin-4-yl]methanamine
CID 139427795

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 5-bromo-4-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine (CID 99777771) is 5-bromo-4-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-bromo-4-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-bromo-4-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine is Brc1cncnc1N1CCC[C@H](c2nn[nH]n2)C1.
What is the InChIKey of 5-bromo-4-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine?
The InChIKey is CZPNANMZXYWDPG-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12BrN7/c11-8-4-12-6-13-10(8)18-3-1-2-7(5-18)9-14-16-17-15-9/h4,6-7H,1-3,5H2,(H,14,15,16,17)/t7-/m0/s1.
What are the key properties of 5-bromo-4-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine?
5-bromo-4-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine has a molecular weight of 310.16 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 99777771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).