N-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine

C14H15N5 — CID 62314113

IUPACN-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine
SMILESCc1cccc(CCNc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C14H15N5/c1-10-3-2-4-11(7-10)5-6-15-13-12-14(17-8-16-12)19-9-18-13/h2-4,7-9H,5-6H2,1H3,(H2,15,16,17,18,19)
InChIKeyJWPRTMZMZDAJJU-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.32
Rot. Bonds4

About N-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine

N-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine (PubChem CID 62314113) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine
PubChem CID62314113
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC NameN-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine
SMILESCc1cccc(CCNc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C14H15N5/c1-10-3-2-4-11(7-10)5-6-15-13-12-14(17-8-16-12)19-9-18-13/h2-4,7-9H,5-6H2,1H3,(H2,15,16,17,18,19)
InChIKeyJWPRTMZMZDAJJU-UHFFFAOYSA-N
XLogP2.32
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethylphenyl)methyl]-7H-purin-6-amine
CID 58205175
6-N-ethyl-5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 80826850
N-[(3-methylsulfanylphenyl)methyl]-7H-purin-6-amine
CID 39840813
N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 62664479
4-[2-(7H-purin-6-ylamino)ethyl]benzenesulfonamide
CID 519855
N'-benzyl-N'-methyl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 756726
N-(2-benzylsulfanylethyl)-7H-purin-6-amine
CID 47174477
N-[(5-methyl-2-phenylmethoxyphenyl)methyl]-7H-purin-6-amine
CID 141033688
N-[2-(3-methylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62832435
N-butyl-7H-purin-6-amine;ethane
CID 154667457
2-(3-fluorophenyl)-N-[2-(7H-purin-6-ylamino)ethyl]acetamide
CID 51102003
N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine
CID 49432029

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine?
The IUPAC name of N-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine (CID 62314113) is N-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine is Cc1cccc(CCNc2ncnc3nc[nH]c23)c1.
What is the InChIKey of N-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine?
The InChIKey is JWPRTMZMZDAJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-10-3-2-4-11(7-10)5-6-15-13-12-14(17-8-16-12)19-9-18-13/h2-4,7-9H,5-6H2,1H3,(H2,15,16,17,18,19).
What are the key properties of N-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine?
N-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine has a molecular weight of 253.31 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)ethyl]-7H-purin-6-amine is sourced from PubChem (CID 62314113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).