N-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-7H-purin-2-amine

C14H14FN5O2 — CID 141225935

IUPACN-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-7H-purin-2-amine
SMILESCOc1cc(F)c(CNc2ncc3[nH]cnc3n2)cc1OC
InChIInChI=1S/C14H14FN5O2/c1-21-11-3-8(9(15)4-12(11)22-2)5-16-14-17-6-10-13(20-14)19-7-18-10/h3-4,6-7H,5H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyNWPDSULPKMVXCX-UHFFFAOYSA-N
MW303.30 g/mol
LogP2.12
Rot. Bonds5

About N-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-7H-purin-2-amine

N-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-7H-purin-2-amine (PubChem CID 141225935) has the molecular formula C14H14FN5O2 and a molecular weight of 303.30 g/mol. Its IUPAC name is N-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-7H-purin-2-amine.

Molecular Properties

Compound NameN-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-7H-purin-2-amine
PubChem CID141225935
Molecular FormulaC14H14FN5O2
Molecular Weight303.30 g/mol
Exact Mass303.11
IUPAC NameN-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-7H-purin-2-amine
SMILESCOc1cc(F)c(CNc2ncc3[nH]cnc3n2)cc1OC
InChIInChI=1S/C14H14FN5O2/c1-21-11-3-8(9(15)4-12(11)22-2)5-16-14-17-6-10-13(20-14)19-7-18-10/h3-4,6-7H,5H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyNWPDSULPKMVXCX-UHFFFAOYSA-N
XLogP2.12
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(7H-purin-2-ylamino)methyl]phenol
CID 161411185
N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7H-purin-2-amine
CID 157079623
4,5-dimethoxy-2-[(7H-purin-6-ylamino)methyl]phenol
CID 123991801
3-(7H-purin-2-ylamino)prop-1-en-1-ol
CID 70134246
methyl 2-(7H-purin-2-ylsulfanyl)acetate
CID 67767931
(2,5-difluoro-4-methoxyphenyl)methylhydrazine
CID 116932362
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
5-fluoro-2-N-[(2-hexoxy-4-methylphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 166382161
N-[(2,4,5-trimethoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 4726696
N-[[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 117306502
N-[(2-fluorophenyl)methyl]-5,6-dimethoxy-1H-benzimidazol-2-amine
CID 82563008
2-[(2-fluorophenyl)methylamino]-6-(2-methoxyphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
CID 53333319

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-7H-purin-2-amine?
The IUPAC name of N-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-7H-purin-2-amine (CID 141225935) is N-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-7H-purin-2-amine.
What is the SMILES notation for N-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-7H-purin-2-amine?
The canonical SMILES for N-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-7H-purin-2-amine is COc1cc(F)c(CNc2ncc3[nH]cnc3n2)cc1OC.
What is the InChIKey of N-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-7H-purin-2-amine?
The InChIKey is NWPDSULPKMVXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O2/c1-21-11-3-8(9(15)4-12(11)22-2)5-16-14-17-6-10-13(20-14)19-7-18-10/h3-4,6-7H,5H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of N-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-7H-purin-2-amine?
N-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-7H-purin-2-amine has a molecular weight of 303.30 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-7H-purin-2-amine is sourced from PubChem (CID 141225935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).