N-(3,4-dihydro-2H-chromen-4-ylmethyl)-7H-purin-6-amine

C15H15N5O — CID 133293354

IUPACN-(3,4-dihydro-2H-chromen-4-ylmethyl)-7H-purin-6-amine
SMILESc1ccc2c(c1)OCCC2CNc1ncnc2nc[nH]c12
InChIInChI=1S/C15H15N5O/c1-2-4-12-11(3-1)10(5-6-21-12)7-16-14-13-15(18-8-17-13)20-9-19-14/h1-4,8-10H,5-7H2,(H2,16,17,18,19,20)
InChIKeyLPZBNEKHLBEVNU-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.33
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-4-ylmethyl)-7H-purin-6-amine

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-7H-purin-6-amine (PubChem CID 133293354) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-7H-purin-6-amine
PubChem CID133293354
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-7H-purin-6-amine
SMILESc1ccc2c(c1)OCCC2CNc1ncnc2nc[nH]c12
InChIInChI=1S/C15H15N5O/c1-2-4-12-11(3-1)10(5-6-21-12)7-16-14-13-15(18-8-17-13)20-9-19-14/h1-4,8-10H,5-7H2,(H2,16,17,18,19,20)
InChIKeyLPZBNEKHLBEVNU-UHFFFAOYSA-N
XLogP2.33
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-7H-purin-6-amine
CID 133385463
3-(3,4-dihydro-2H-chromen-4-ylmethylamino)pyrazine-2-carbonitrile
CID 133293405
N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-7H-purin-6-amine
CID 129320692
4-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)aniline
CID 104768223
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dimethylhydrazine
CID 104768421
2-[(7H-purin-6-ylamino)methyl]benzenesulfonic acid
CID 87748569
N-(3-cyclopropylpropyl)-7H-purin-6-amine
CID 115637547
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(4,5-dimethylimidazol-1-yl)aniline
CID 166216140
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-iodoaniline
CID 104768255
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-fluoroaniline
CID 115756557
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-7H-purin-6-amine?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-7H-purin-6-amine (CID 133293354) is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-7H-purin-6-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-7H-purin-6-amine?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-7H-purin-6-amine is c1ccc2c(c1)OCCC2CNc1ncnc2nc[nH]c12.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-7H-purin-6-amine?
The InChIKey is LPZBNEKHLBEVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-2-4-12-11(3-1)10(5-6-21-12)7-16-14-13-15(18-8-17-13)20-9-19-14/h1-4,8-10H,5-7H2,(H2,16,17,18,19,20).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-7H-purin-6-amine?
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-7H-purin-6-amine has a molecular weight of 281.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-7H-purin-6-amine is sourced from PubChem (CID 133293354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).