N-(furan-2-ylmethyl)-N-methyl-3-(6-phenylmethoxypurin-9-yl)propan-1-amine

C21H23N5O2 — CID 46903474

IUPACN-(furan-2-ylmethyl)-N-methyl-3-(6-phenylmethoxypurin-9-yl)propan-1-amine
SMILESCN(CCCn1cnc2c(OCc3ccccc3)ncnc21)Cc1ccco1
InChIInChI=1S/C21H23N5O2/c1-25(13-18-9-5-12-27-18)10-6-11-26-16-24-19-20(26)22-15-23-21(19)28-14-17-7-3-2-4-8-17/h2-5,7-9,12,15-16H,6,10-11,13-14H2,1H3
InChIKeyPWBVKBDJSNYNTD-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.52
Rot. Bonds9

About N-(furan-2-ylmethyl)-N-methyl-3-(6-phenylmethoxypurin-9-yl)propan-1-amine

N-(furan-2-ylmethyl)-N-methyl-3-(6-phenylmethoxypurin-9-yl)propan-1-amine (PubChem CID 46903474) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-3-(6-phenylmethoxypurin-9-yl)propan-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-3-(6-phenylmethoxypurin-9-yl)propan-1-amine
PubChem CID46903474
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-3-(6-phenylmethoxypurin-9-yl)propan-1-amine
SMILESCN(CCCn1cnc2c(OCc3ccccc3)ncnc21)Cc1ccco1
InChIInChI=1S/C21H23N5O2/c1-25(13-18-9-5-12-27-18)10-6-11-26-16-24-19-20(26)22-15-23-21(19)28-14-17-7-3-2-4-8-17/h2-5,7-9,12,15-16H,6,10-11,13-14H2,1H3
InChIKeyPWBVKBDJSNYNTD-UHFFFAOYSA-N
XLogP3.52
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-3-(6-phenylmethoxypurin-9-yl)propan-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-3-(6-phenylmethoxypurin-9-yl)propan-1-amine (CID 46903474) is N-(furan-2-ylmethyl)-N-methyl-3-(6-phenylmethoxypurin-9-yl)propan-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-3-(6-phenylmethoxypurin-9-yl)propan-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-3-(6-phenylmethoxypurin-9-yl)propan-1-amine is CN(CCCn1cnc2c(OCc3ccccc3)ncnc21)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-3-(6-phenylmethoxypurin-9-yl)propan-1-amine?
The InChIKey is PWBVKBDJSNYNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-25(13-18-9-5-12-27-18)10-6-11-26-16-24-19-20(26)22-15-23-21(19)28-14-17-7-3-2-4-8-17/h2-5,7-9,12,15-16H,6,10-11,13-14H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-3-(6-phenylmethoxypurin-9-yl)propan-1-amine?
N-(furan-2-ylmethyl)-N-methyl-3-(6-phenylmethoxypurin-9-yl)propan-1-amine has a molecular weight of 377.45 g/mol, XLogP of 3.52, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-3-(6-phenylmethoxypurin-9-yl)propan-1-amine is sourced from PubChem (CID 46903474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).