N-methyl-1-[4-methyl-2-(5-phenyltetrazol-2-yl)pyrimidin-5-yl]methanamine

C14H15N7 — CID 83185235

IUPACN-methyl-1-[4-methyl-2-(5-phenyltetrazol-2-yl)pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(-n2nnc(-c3ccccc3)n2)nc1C
InChIInChI=1S/C14H15N7/c1-10-12(8-15-2)9-16-14(17-10)21-19-13(18-20-21)11-6-4-3-5-7-11/h3-7,9,15H,8H2,1-2H3
InChIKeyMQTAJKCXXXGORE-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.15
Rot. Bonds4

About N-methyl-1-[4-methyl-2-(5-phenyltetrazol-2-yl)pyrimidin-5-yl]methanamine

N-methyl-1-[4-methyl-2-(5-phenyltetrazol-2-yl)pyrimidin-5-yl]methanamine (PubChem CID 83185235) has the molecular formula C14H15N7 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(5-phenyltetrazol-2-yl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(5-phenyltetrazol-2-yl)pyrimidin-5-yl]methanamine
PubChem CID83185235
Molecular FormulaC14H15N7
Molecular Weight281.32 g/mol
Exact Mass281.14
IUPAC NameN-methyl-1-[4-methyl-2-(5-phenyltetrazol-2-yl)pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(-n2nnc(-c3ccccc3)n2)nc1C
InChIInChI=1S/C14H15N7/c1-10-12(8-15-2)9-16-14(17-10)21-19-13(18-20-21)11-6-4-3-5-7-11/h3-7,9,15H,8H2,1-2H3
InChIKeyMQTAJKCXXXGORE-UHFFFAOYSA-N
XLogP1.15
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-(5-phenyltetrazol-2-yl)pyrimidin-5-yl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(5-phenyltetrazol-2-yl)pyrimidin-5-yl]methanamine (CID 83185235) is N-methyl-1-[4-methyl-2-(5-phenyltetrazol-2-yl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(5-phenyltetrazol-2-yl)pyrimidin-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(5-phenyltetrazol-2-yl)pyrimidin-5-yl]methanamine is CNCc1cnc(-n2nnc(-c3ccccc3)n2)nc1C.
What is the InChIKey of N-methyl-1-[4-methyl-2-(5-phenyltetrazol-2-yl)pyrimidin-5-yl]methanamine?
The InChIKey is MQTAJKCXXXGORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7/c1-10-12(8-15-2)9-16-14(17-10)21-19-13(18-20-21)11-6-4-3-5-7-11/h3-7,9,15H,8H2,1-2H3.
What are the key properties of N-methyl-1-[4-methyl-2-(5-phenyltetrazol-2-yl)pyrimidin-5-yl]methanamine?
N-methyl-1-[4-methyl-2-(5-phenyltetrazol-2-yl)pyrimidin-5-yl]methanamine has a molecular weight of 281.32 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(5-phenyltetrazol-2-yl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 83185235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).