6-chloro-5-methyl-2-propyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine

C10H14ClN7 — CID 106194545

IUPAC6-chloro-5-methyl-2-propyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NCc2nn[nH]n2)n1
InChIInChI=1S/C10H14ClN7/c1-3-4-7-13-9(11)6(2)10(14-7)12-5-8-15-17-18-16-8/h3-5H2,1-2H3,(H,12,13,14)(H,15,16,17,18)
InChIKeyCQVZMNKLQUHFLM-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.52
Rot. Bonds5

About 6-chloro-5-methyl-2-propyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine

6-chloro-5-methyl-2-propyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine (PubChem CID 106194545) has the molecular formula C10H14ClN7 and a molecular weight of 267.72 g/mol. Its IUPAC name is 6-chloro-5-methyl-2-propyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-2-propyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine
PubChem CID106194545
Molecular FormulaC10H14ClN7
Molecular Weight267.72 g/mol
Exact Mass267.10
IUPAC Name6-chloro-5-methyl-2-propyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NCc2nn[nH]n2)n1
InChIInChI=1S/C10H14ClN7/c1-3-4-7-13-9(11)6(2)10(14-7)12-5-8-15-17-18-16-8/h3-5H2,1-2H3,(H,12,13,14)(H,15,16,17,18)
InChIKeyCQVZMNKLQUHFLM-UHFFFAOYSA-N
XLogP1.52
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.52
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-2-propyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-2-propyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine (CID 106194545) is 6-chloro-5-methyl-2-propyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-2-propyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-2-propyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine is CCCc1nc(Cl)c(C)c(NCc2nn[nH]n2)n1.
What is the InChIKey of 6-chloro-5-methyl-2-propyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine?
The InChIKey is CQVZMNKLQUHFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN7/c1-3-4-7-13-9(11)6(2)10(14-7)12-5-8-15-17-18-16-8/h3-5H2,1-2H3,(H,12,13,14)(H,15,16,17,18).
What are the key properties of 6-chloro-5-methyl-2-propyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine?
6-chloro-5-methyl-2-propyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine has a molecular weight of 267.72 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-2-propyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 106194545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).