N-[(4-methoxyphenyl)methyl]-8-propan-2-ylpurin-3-amine

C16H19N5O — CID 70213389

IUPACN-[(4-methoxyphenyl)methyl]-8-propan-2-ylpurin-3-amine
SMILESCOc1ccc(CNn2cncc3nc(C(C)C)nc2-3)cc1
InChIInChI=1S/C16H19N5O/c1-11(2)15-19-14-9-17-10-21(16(14)20-15)18-8-12-4-6-13(22-3)7-5-12/h4-7,9-11,18H,8H2,1-3H3
InChIKeyBAYXSAPSTDKHDB-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.65
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-8-propan-2-ylpurin-3-amine

N-[(4-methoxyphenyl)methyl]-8-propan-2-ylpurin-3-amine (PubChem CID 70213389) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-8-propan-2-ylpurin-3-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-8-propan-2-ylpurin-3-amine
PubChem CID70213389
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-8-propan-2-ylpurin-3-amine
SMILESCOc1ccc(CNn2cncc3nc(C(C)C)nc2-3)cc1
InChIInChI=1S/C16H19N5O/c1-11(2)15-19-14-9-17-10-21(16(14)20-15)18-8-12-4-6-13(22-3)7-5-12/h4-7,9-11,18H,8H2,1-3H3
InChIKeyBAYXSAPSTDKHDB-UHFFFAOYSA-N
XLogP2.65
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1,2,4-triazol-4-amine
CID 961586
N-[(4-methoxyphenyl)methyl]-5-propan-2-ylpyridin-2-amine
CID 118954417
N-[(4-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 796206
N-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine
CID 122168201
6-N-[(4-methoxyphenyl)methyl]-2-methyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868056
6-(4-methoxyphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80949110
5-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 115620538
1-(4-methoxyphenyl)-N-tri(propan-2-yl)silyloxymethanamine
CID 132599430
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
(2S)-N-[(4-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950547
(1S)-N-[(4-methoxyphenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 92763777
1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrobromide
CID 156593877

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-8-propan-2-ylpurin-3-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-8-propan-2-ylpurin-3-amine (CID 70213389) is N-[(4-methoxyphenyl)methyl]-8-propan-2-ylpurin-3-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-8-propan-2-ylpurin-3-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-8-propan-2-ylpurin-3-amine is COc1ccc(CNn2cncc3nc(C(C)C)nc2-3)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-8-propan-2-ylpurin-3-amine?
The InChIKey is BAYXSAPSTDKHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-11(2)15-19-14-9-17-10-21(16(14)20-15)18-8-12-4-6-13(22-3)7-5-12/h4-7,9-11,18H,8H2,1-3H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-8-propan-2-ylpurin-3-amine?
N-[(4-methoxyphenyl)methyl]-8-propan-2-ylpurin-3-amine has a molecular weight of 297.36 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-8-propan-2-ylpurin-3-amine is sourced from PubChem (CID 70213389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).