4-(3-methyl-1-propylpyrazol-4-yl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-2-amine

C15H21N9 — CID 28767202

IUPAC4-(3-methyl-1-propylpyrazol-4-yl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-2-amine
SMILESCCCn1cc(-c2ccnc(NCCCc3nn[nH]n3)n2)c(C)n1
InChIInChI=1S/C15H21N9/c1-3-9-24-10-12(11(2)21-24)13-6-8-17-15(18-13)16-7-4-5-14-19-22-23-20-14/h6,8,10H,3-5,7,9H2,1-2H3,(H,16,17,18)(H,19,20,22,23)
InChIKeyYZDVDOWMCAGPGV-UHFFFAOYSA-N
MW327.40 g/mol
LogP1.62
Rot. Bonds8

About 4-(3-methyl-1-propylpyrazol-4-yl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-2-amine

4-(3-methyl-1-propylpyrazol-4-yl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-2-amine (PubChem CID 28767202) has the molecular formula C15H21N9 and a molecular weight of 327.40 g/mol. Its IUPAC name is 4-(3-methyl-1-propylpyrazol-4-yl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-methyl-1-propylpyrazol-4-yl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-2-amine
PubChem CID28767202
Molecular FormulaC15H21N9
Molecular Weight327.40 g/mol
Exact Mass327.19
IUPAC Name4-(3-methyl-1-propylpyrazol-4-yl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-2-amine
SMILESCCCn1cc(-c2ccnc(NCCCc3nn[nH]n3)n2)c(C)n1
InChIInChI=1S/C15H21N9/c1-3-9-24-10-12(11(2)21-24)13-6-8-17-15(18-13)16-7-4-5-14-19-22-23-20-14/h6,8,10H,3-5,7,9H2,1-2H3,(H,16,17,18)(H,19,20,22,23)
InChIKeyYZDVDOWMCAGPGV-UHFFFAOYSA-N
XLogP1.62
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1-propylpyrazol-4-yl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-2-amine?
The IUPAC name of 4-(3-methyl-1-propylpyrazol-4-yl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-2-amine (CID 28767202) is 4-(3-methyl-1-propylpyrazol-4-yl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(3-methyl-1-propylpyrazol-4-yl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-2-amine?
The canonical SMILES for 4-(3-methyl-1-propylpyrazol-4-yl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-2-amine is CCCn1cc(-c2ccnc(NCCCc3nn[nH]n3)n2)c(C)n1.
What is the InChIKey of 4-(3-methyl-1-propylpyrazol-4-yl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-2-amine?
The InChIKey is YZDVDOWMCAGPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N9/c1-3-9-24-10-12(11(2)21-24)13-6-8-17-15(18-13)16-7-4-5-14-19-22-23-20-14/h6,8,10H,3-5,7,9H2,1-2H3,(H,16,17,18)(H,19,20,22,23).
What are the key properties of 4-(3-methyl-1-propylpyrazol-4-yl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-2-amine?
4-(3-methyl-1-propylpyrazol-4-yl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-2-amine has a molecular weight of 327.40 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1-propylpyrazol-4-yl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidin-2-amine is sourced from PubChem (CID 28767202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).