6-chloro-5-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine

C8H10ClN7 — CID 106194461

IUPAC6-chloro-5-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NC(C)c1nn[nH]n1
InChIInChI=1S/C8H10ClN7/c1-4-6(9)10-3-11-7(4)12-5(2)8-13-15-16-14-8/h3,5H,1-2H3,(H,10,11,12)(H,13,14,15,16)
InChIKeyQINOVXRNMVYPBA-UHFFFAOYSA-N
MW239.67 g/mol
LogP1.12
Rot. Bonds3

About 6-chloro-5-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine

6-chloro-5-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine (PubChem CID 106194461) has the molecular formula C8H10ClN7 and a molecular weight of 239.67 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine
PubChem CID106194461
Molecular FormulaC8H10ClN7
Molecular Weight239.67 g/mol
Exact Mass239.07
IUPAC Name6-chloro-5-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NC(C)c1nn[nH]n1
InChIInChI=1S/C8H10ClN7/c1-4-6(9)10-3-11-7(4)12-5(2)8-13-15-16-14-8/h3,5H,1-2H3,(H,10,11,12)(H,13,14,15,16)
InChIKeyQINOVXRNMVYPBA-UHFFFAOYSA-N
XLogP1.12
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.67
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine (CID 106194461) is 6-chloro-5-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine is Cc1c(Cl)ncnc1NC(C)c1nn[nH]n1.
What is the InChIKey of 6-chloro-5-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine?
The InChIKey is QINOVXRNMVYPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN7/c1-4-6(9)10-3-11-7(4)12-5(2)8-13-15-16-14-8/h3,5H,1-2H3,(H,10,11,12)(H,13,14,15,16).
What are the key properties of 6-chloro-5-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine?
6-chloro-5-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine has a molecular weight of 239.67 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106194461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).