N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-7H-purin-6-amine

C17H19N5O2 — CID 94421834

IUPACN-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-7H-purin-6-amine
SMILESc1nc(NCc2ccc(OC[C@@H]3CCCO3)cc2)c2[nH]cnc2n1
InChIInChI=1S/C17H19N5O2/c1-2-14(23-7-1)9-24-13-5-3-12(4-6-13)8-18-16-15-17(20-10-19-15)22-11-21-16/h3-6,10-11,14H,1-2,7-9H2,(H2,18,19,20,21,22)/t14-/m0/s1
InChIKeyYKMIRBUVQYOCAC-AWEZNQCLSA-N
MW325.37 g/mol
LogP2.52
Rot. Bonds6

About N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-7H-purin-6-amine

N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-7H-purin-6-amine (PubChem CID 94421834) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-7H-purin-6-amine
PubChem CID94421834
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-7H-purin-6-amine
SMILESc1nc(NCc2ccc(OC[C@@H]3CCCO3)cc2)c2[nH]cnc2n1
InChIInChI=1S/C17H19N5O2/c1-2-14(23-7-1)9-24-13-5-3-12(4-6-13)8-18-16-15-17(20-10-19-15)22-11-21-16/h3-6,10-11,14H,1-2,7-9H2,(H2,18,19,20,21,22)/t14-/m0/s1
InChIKeyYKMIRBUVQYOCAC-AWEZNQCLSA-N
XLogP2.52
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-7H-purin-6-amine with MolForge

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Related Compounds

N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentanamine
CID 54798939
N-cyclopropyl-4-[(7H-purin-6-ylamino)methyl]benzamide
CID 47072892
N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-7H-purin-6-amine
CID 94432722
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43214097
2,4,5-trichloro-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]aniline
CID 46736222
N-[(4-propan-2-ylphenyl)methyl]-7H-purin-6-amine
CID 61397737
N-[4-(cyclohexylmethoxy)phenyl]-7H-purin-6-amine
CID 166340246
2,5-dichloro-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]aniline
CID 54798356
[(2R,3S,4R)-3,4-dihydroxy-5-[4-[(7H-purin-6-ylamino)methyl]phenoxy]oxolan-2-yl]methyl dihydrogen phosphate
CID 90450163
N-[[4-(2-ethoxyethoxy)phenyl]methyl]-4-(oxolan-2-ylmethoxy)aniline
CID 54799559
N-[(6-methyl-3-pyridinyl)methyl]-7H-purin-6-amine
CID 60965843
N-(morpholin-2-ylmethyl)-7H-purin-6-amine
CID 115324260

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-7H-purin-6-amine?
The IUPAC name of N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-7H-purin-6-amine (CID 94421834) is N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-7H-purin-6-amine.
What is the SMILES notation for N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-7H-purin-6-amine?
The canonical SMILES for N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-7H-purin-6-amine is c1nc(NCc2ccc(OC[C@@H]3CCCO3)cc2)c2[nH]cnc2n1.
What is the InChIKey of N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-7H-purin-6-amine?
The InChIKey is YKMIRBUVQYOCAC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-2-14(23-7-1)9-24-13-5-3-12(4-6-13)8-18-16-15-17(20-10-19-15)22-11-21-16/h3-6,10-11,14H,1-2,7-9H2,(H2,18,19,20,21,22)/t14-/m0/s1.
What are the key properties of N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-7H-purin-6-amine?
N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-7H-purin-6-amine has a molecular weight of 325.37 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-7H-purin-6-amine is sourced from PubChem (CID 94421834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).