[2,4-diamino-5-(2-fluorophenyl)-7-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl] methyl carbonate

C16H16FN5O3 — CID 70354531

IUPAC[2,4-diamino-5-(2-fluorophenyl)-7-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl] methyl carbonate
SMILESCOC(=O)OC1=C(C)Nc2nc(N)nc(N)c2C1c1ccccc1F
InChIInChI=1S/C16H16FN5O3/c1-7-12(25-16(23)24-2)10(8-5-3-4-6-9(8)17)11-13(18)21-15(19)22-14(11)20-7/h3-6,10H,1-2H3,(H5,18,19,20,21,22)
InChIKeySTTZEKUGHUVERL-UHFFFAOYSA-N
MW345.33 g/mol
LogP2.35
Rot. Bonds2

About [2,4-diamino-5-(2-fluorophenyl)-7-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl] methyl carbonate

[2,4-diamino-5-(2-fluorophenyl)-7-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl] methyl carbonate (PubChem CID 70354531) has the molecular formula C16H16FN5O3 and a molecular weight of 345.33 g/mol. Its IUPAC name is [2,4-diamino-5-(2-fluorophenyl)-7-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl] methyl carbonate.

Molecular Properties

Compound Name[2,4-diamino-5-(2-fluorophenyl)-7-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl] methyl carbonate
PubChem CID70354531
Molecular FormulaC16H16FN5O3
Molecular Weight345.33 g/mol
Exact Mass345.12
IUPAC Name[2,4-diamino-5-(2-fluorophenyl)-7-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl] methyl carbonate
SMILESCOC(=O)OC1=C(C)Nc2nc(N)nc(N)c2C1c1ccccc1F
InChIInChI=1S/C16H16FN5O3/c1-7-12(25-16(23)24-2)10(8-5-3-4-6-9(8)17)11-13(18)21-15(19)22-14(11)20-7/h3-6,10H,1-2H3,(H5,18,19,20,21,22)
InChIKeySTTZEKUGHUVERL-UHFFFAOYSA-N
XLogP2.35
TPSA125.38 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

[2,4-diamino-5-(2-chlorophenyl)-7-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl] 2,2,2-trifluoroethyl carbonate
CID 70474524
[5-amino-2,6-dimethyl-4-(3-methylphenyl)-1,4-dihydropyridin-3-yl] methyl carbonate
CID 70354419
5-O-(1-isoindol-2-ylethyl) 3-O-methyl 4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 70061742
methyl 5-(2-fluorophenyl)-7-methyl-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 4549475
(5-amino-2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridin-3-yl) methyl carbonate
CID 70354795
[2,6-dimethyl-5-(2-nitrooxyethoxycarbonyloxy)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridin-3-yl] methyl carbonate
CID 70471553
[4-(2,3-dichlorophenyl)-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridin-3-yl] methyl carbonate
CID 70380491
[5-(2-chloroethoxycarbonyloxy)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridin-3-yl] methyl carbonate
CID 70517266
[4-(2-cyanophenyl)-2,6-dimethyl-5-(2-methylsulfanylethoxycarbonyloxy)-1,4-dihydropyridin-3-yl] methyl carbonate
CID 70616291
[4-(2-benzylsulfanylphenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridin-3-yl] methyl carbonate
CID 70352309
[5-methoxycarbonyloxy-2-methyl-4-(2-nitrophenyl)-6-propyl-1,4-dihydropyridin-3-yl] methyl carbonate
CID 70530262
[5-carboxyoxy-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridin-3-yl] hydrogen carbonate
CID 23182937

Frequently Asked Questions

What is the IUPAC name of [2,4-diamino-5-(2-fluorophenyl)-7-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl] methyl carbonate?
The IUPAC name of [2,4-diamino-5-(2-fluorophenyl)-7-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl] methyl carbonate (CID 70354531) is [2,4-diamino-5-(2-fluorophenyl)-7-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl] methyl carbonate.
What is the SMILES notation for [2,4-diamino-5-(2-fluorophenyl)-7-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl] methyl carbonate?
The canonical SMILES for [2,4-diamino-5-(2-fluorophenyl)-7-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl] methyl carbonate is COC(=O)OC1=C(C)Nc2nc(N)nc(N)c2C1c1ccccc1F.
What is the InChIKey of [2,4-diamino-5-(2-fluorophenyl)-7-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl] methyl carbonate?
The InChIKey is STTZEKUGHUVERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O3/c1-7-12(25-16(23)24-2)10(8-5-3-4-6-9(8)17)11-13(18)21-15(19)22-14(11)20-7/h3-6,10H,1-2H3,(H5,18,19,20,21,22).
What are the key properties of [2,4-diamino-5-(2-fluorophenyl)-7-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl] methyl carbonate?
[2,4-diamino-5-(2-fluorophenyl)-7-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl] methyl carbonate has a molecular weight of 345.33 g/mol, XLogP of 2.35, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-diamino-5-(2-fluorophenyl)-7-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl] methyl carbonate is sourced from PubChem (CID 70354531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).