N-(3,4-dimethoxyphenyl)-2-propyl-7H-purin-6-amine

C16H19N5O2 — CID 10591280

IUPACN-(3,4-dimethoxyphenyl)-2-propyl-7H-purin-6-amine
SMILESCCCc1nc(Nc2ccc(OC)c(OC)c2)c2[nH]cnc2n1
InChIInChI=1S/C16H19N5O2/c1-4-5-13-20-15-14(17-9-18-15)16(21-13)19-10-6-7-11(22-2)12(8-10)23-3/h6-9H,4-5H2,1-3H3,(H2,17,18,19,20,21)
InChIKeyKUZDDZJUIVNHDR-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.07
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-2-propyl-7H-purin-6-amine

N-(3,4-dimethoxyphenyl)-2-propyl-7H-purin-6-amine (PubChem CID 10591280) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-propyl-7H-purin-6-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-propyl-7H-purin-6-amine
PubChem CID10591280
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-(3,4-dimethoxyphenyl)-2-propyl-7H-purin-6-amine
SMILESCCCc1nc(Nc2ccc(OC)c(OC)c2)c2[nH]cnc2n1
InChIInChI=1S/C16H19N5O2/c1-4-5-13-20-15-14(17-9-18-15)16(21-13)19-10-6-7-11(22-2)12(8-10)23-3/h6-9H,4-5H2,1-3H3,(H2,17,18,19,20,21)
InChIKeyKUZDDZJUIVNHDR-UHFFFAOYSA-N
XLogP3.07
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-propyl-7H-purin-6-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-propyl-7H-purin-6-amine (CID 10591280) is N-(3,4-dimethoxyphenyl)-2-propyl-7H-purin-6-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-propyl-7H-purin-6-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-propyl-7H-purin-6-amine is CCCc1nc(Nc2ccc(OC)c(OC)c2)c2[nH]cnc2n1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-propyl-7H-purin-6-amine?
The InChIKey is KUZDDZJUIVNHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-4-5-13-20-15-14(17-9-18-15)16(21-13)19-10-6-7-11(22-2)12(8-10)23-3/h6-9H,4-5H2,1-3H3,(H2,17,18,19,20,21).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-propyl-7H-purin-6-amine?
N-(3,4-dimethoxyphenyl)-2-propyl-7H-purin-6-amine has a molecular weight of 313.36 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-propyl-7H-purin-6-amine is sourced from PubChem (CID 10591280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).