N-methyl-4-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidin-2-amine

C18H15N7 — CID 2801975

IUPACN-methyl-4-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidin-2-amine
SMILESCNc1ncc(-c2nnnn2-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C18H15N7/c1-19-18-20-12-15(16(21-18)13-8-4-2-5-9-13)17-22-23-24-25(17)14-10-6-3-7-11-14/h2-12H,1H3,(H,19,20,21)
InChIKeyUNSBDZILRRYLEB-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.83
Rot. Bonds4

About N-methyl-4-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidin-2-amine

N-methyl-4-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidin-2-amine (PubChem CID 2801975) has the molecular formula C18H15N7 and a molecular weight of 329.37 g/mol. Its IUPAC name is N-methyl-4-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidin-2-amine
PubChem CID2801975
Molecular FormulaC18H15N7
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC NameN-methyl-4-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidin-2-amine
SMILESCNc1ncc(-c2nnnn2-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C18H15N7/c1-19-18-20-12-15(16(21-18)13-8-4-2-5-9-13)17-22-23-24-25(17)14-10-6-3-7-11-14/h2-12H,1H3,(H,19,20,21)
InChIKeyUNSBDZILRRYLEB-UHFFFAOYSA-N
XLogP2.83
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidin-2-amine?
The IUPAC name of N-methyl-4-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidin-2-amine (CID 2801975) is N-methyl-4-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidin-2-amine is CNc1ncc(-c2nnnn2-c2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of N-methyl-4-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidin-2-amine?
The InChIKey is UNSBDZILRRYLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7/c1-19-18-20-12-15(16(21-18)13-8-4-2-5-9-13)17-22-23-24-25(17)14-10-6-3-7-11-14/h2-12H,1H3,(H,19,20,21).
What are the key properties of N-methyl-4-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidin-2-amine?
N-methyl-4-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidin-2-amine has a molecular weight of 329.37 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 2801975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).