N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)-7H-purin-6-amine

C14H19N7 — CID 117079518

IUPACN-propyl-2-(1,3,5-trimethylpyrazol-4-yl)-7H-purin-6-amine
SMILESCCCNc1nc(-c2c(C)nn(C)c2C)nc2nc[nH]c12
InChIInChI=1S/C14H19N7/c1-5-6-15-13-11-14(17-7-16-11)19-12(18-13)10-8(2)20-21(4)9(10)3/h7H,5-6H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyWUYGDQVUMKDHGX-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.19
Rot. Bonds4

About N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)-7H-purin-6-amine

N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)-7H-purin-6-amine (PubChem CID 117079518) has the molecular formula C14H19N7 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-propyl-2-(1,3,5-trimethylpyrazol-4-yl)-7H-purin-6-amine
PubChem CID117079518
Molecular FormulaC14H19N7
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC NameN-propyl-2-(1,3,5-trimethylpyrazol-4-yl)-7H-purin-6-amine
SMILESCCCNc1nc(-c2c(C)nn(C)c2C)nc2nc[nH]c12
InChIInChI=1S/C14H19N7/c1-5-6-15-13-11-14(17-7-16-11)19-12(18-13)10-8(2)20-21(4)9(10)3/h7H,5-6H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyWUYGDQVUMKDHGX-UHFFFAOYSA-N
XLogP2.19
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)-7H-purin-6-amine?
The IUPAC name of N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)-7H-purin-6-amine (CID 117079518) is N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)-7H-purin-6-amine.
What is the SMILES notation for N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)-7H-purin-6-amine?
The canonical SMILES for N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)-7H-purin-6-amine is CCCNc1nc(-c2c(C)nn(C)c2C)nc2nc[nH]c12.
What is the InChIKey of N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)-7H-purin-6-amine?
The InChIKey is WUYGDQVUMKDHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7/c1-5-6-15-13-11-14(17-7-16-11)19-12(18-13)10-8(2)20-21(4)9(10)3/h7H,5-6H2,1-4H3,(H2,15,16,17,18,19).
What are the key properties of N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)-7H-purin-6-amine?
N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)-7H-purin-6-amine has a molecular weight of 285.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)-7H-purin-6-amine is sourced from PubChem (CID 117079518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).