5-fluoro-4-N,4-N-dimethyl-2-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-2,4-diamine

C14H15FN8 — CID 72867046

IUPAC5-fluoro-4-N,4-N-dimethyl-2-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCN(C)c1nc(NCc2cccc(-c3nn[nH]n3)c2)ncc1F
InChIInChI=1S/C14H15FN8/c1-23(2)13-11(15)8-17-14(18-13)16-7-9-4-3-5-10(6-9)12-19-21-22-20-12/h3-6,8H,7H2,1-2H3,(H,16,17,18)(H,19,20,21,22)
InChIKeyLAXHMXUVJXOEPN-UHFFFAOYSA-N
MW314.33 g/mol
LogP1.47
Rot. Bonds5

About 5-fluoro-4-N,4-N-dimethyl-2-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-2,4-diamine

5-fluoro-4-N,4-N-dimethyl-2-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-2,4-diamine (PubChem CID 72867046) has the molecular formula C14H15FN8 and a molecular weight of 314.33 g/mol. Its IUPAC name is 5-fluoro-4-N,4-N-dimethyl-2-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N,4-N-dimethyl-2-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-2,4-diamine
PubChem CID72867046
Molecular FormulaC14H15FN8
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Name5-fluoro-4-N,4-N-dimethyl-2-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCN(C)c1nc(NCc2cccc(-c3nn[nH]n3)c2)ncc1F
InChIInChI=1S/C14H15FN8/c1-23(2)13-11(15)8-17-14(18-13)16-7-9-4-3-5-10(6-9)12-19-21-22-20-12/h3-6,8H,7H2,1-2H3,(H,16,17,18)(H,19,20,21,22)
InChIKeyLAXHMXUVJXOEPN-UHFFFAOYSA-N
XLogP1.47
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-4-N,4-N-dimethyl-2-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

5-fluoro-4-N,4-N-dimethyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 137345709
5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80765312
N-(pyridin-3-ylmethyl)-3-(2H-tetrazol-5-yl)aniline
CID 43732044
5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrimidine-2,4-diamine
CID 135103174
[4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]phenyl]-piperidin-1-ylmethanone
CID 137336198
5-(3-tert-butylphenyl)-2H-tetrazole
CID 22972916
5-[3-[(2-methylphenyl)methyl]phenyl]-2H-tetrazole
CID 91017047
N-[(4-bromo-3-methylphenyl)methyl]-3-(2H-tetrazol-5-yl)aniline
CID 66474413
N-ethyl-5-fluoro-4-(3-propylphenyl)pyrimidin-2-amine
CID 116546100
5-(3,4-difluorophenyl)-2H-tetrazole
CID 43658630
4-N-benzyl-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80753808
5-fluoro-2-N-[2-(1H-imidazol-5-yl)ethyl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 135117540

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N,4-N-dimethyl-2-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N,4-N-dimethyl-2-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-2,4-diamine (CID 72867046) is 5-fluoro-4-N,4-N-dimethyl-2-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N,4-N-dimethyl-2-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N,4-N-dimethyl-2-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-2,4-diamine is CN(C)c1nc(NCc2cccc(-c3nn[nH]n3)c2)ncc1F.
What is the InChIKey of 5-fluoro-4-N,4-N-dimethyl-2-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is LAXHMXUVJXOEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN8/c1-23(2)13-11(15)8-17-14(18-13)16-7-9-4-3-5-10(6-9)12-19-21-22-20-12/h3-6,8H,7H2,1-2H3,(H,16,17,18)(H,19,20,21,22).
What are the key properties of 5-fluoro-4-N,4-N-dimethyl-2-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-2,4-diamine?
5-fluoro-4-N,4-N-dimethyl-2-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 314.33 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N,4-N-dimethyl-2-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 72867046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).