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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Related Compounds

4-[Amino-[(1-methyltetrazol-5-yl)methyl]amino]-2-tert-butyl-6-chloropyrimidin-5-amine
CID 170444759
6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethylpyrimidin-4-amine
CID 55230062
6-chloro-2,5-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
CID 55230091
6-chloro-5-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
CID 55230468
6-chloro-2,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 55231240
6-chloro-4-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidine-4,5-diamine
CID 63023784
6-chloro-5-ethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 63728175
6-chloro-2,5-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 63728343
6-chloro-5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 63728344
6-chloro-2,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine
CID 63728457
6-chloro-2,5-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
CID 63728506
6-chloro-2,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 63728704

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).