fluoromethane;methanol;2-N-(4-methylquinazolin-7-yl)-4-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

C19H21F4N7O — CID 143437010

IUPACfluoromethane;methanol;2-N-(4-methylquinazolin-7-yl)-4-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCF.CO.Cc1ncnc2cc(Nc3nc(NCC(F)(F)F)c4cc[nH]c4n3)ccc12
InChIInChI=1S/C17H14F3N7.CH3F.CH4O/c1-9-11-3-2-10(6-13(11)24-8-23-9)25-16-26-14-12(4-5-21-14)15(27-16)22-7-17(18,19)20;2*1-2/h2-6,8H,7H2,1H3,(H3,21,22,25,26,27);1H3;2H,1H3
InChIKeyAICIYBLNTLIAQG-UHFFFAOYSA-N
MW439.42 g/mol
LogP4.12
Rot. Bonds4

About fluoromethane;methanol;2-N-(4-methylquinazolin-7-yl)-4-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

fluoromethane;methanol;2-N-(4-methylquinazolin-7-yl)-4-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 143437010) has the molecular formula C19H21F4N7O and a molecular weight of 439.42 g/mol. Its IUPAC name is fluoromethane;methanol;2-N-(4-methylquinazolin-7-yl)-4-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Namefluoromethane;methanol;2-N-(4-methylquinazolin-7-yl)-4-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID143437010
Molecular FormulaC19H21F4N7O
Molecular Weight439.42 g/mol
Exact Mass439.17
IUPAC Namefluoromethane;methanol;2-N-(4-methylquinazolin-7-yl)-4-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCF.CO.Cc1ncnc2cc(Nc3nc(NCC(F)(F)F)c4cc[nH]c4n3)ccc12
InChIInChI=1S/C17H14F3N7.CH3F.CH4O/c1-9-11-3-2-10(6-13(11)24-8-23-9)25-16-26-14-12(4-5-21-14)15(27-16)22-7-17(18,19)20;2*1-2/h2-6,8H,7H2,1H3,(H3,21,22,25,26,27);1H3;2H,1H3
InChIKeyAICIYBLNTLIAQG-UHFFFAOYSA-N
XLogP4.12
TPSA111.64 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.42
LogP ≤ 54.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

ethane;fluoromethane;2-N-(4-fluorophenyl)-4-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 143437066
2-amino-4-[[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenol
CID 89366801
2,2-difluoropropane;4-methyl-6-[[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-1H-quinolin-2-one
CID 143436994
2-fluoro-N-methyl-4-[[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 71201107
2-N-(4-methylsulfonylphenyl)-4-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 71201225
2-N-(1-propan-2-yl-2,3-dihydroindazol-5-yl)-4-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 71201223
2-N-[3-[(dimethylamino)methyl]phenyl]-4-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 71201117
2-fluoro-N-propan-2-yl-4-[[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 16656833
N-cyclohexyl-4-[[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;2,2,2-trifluoroacetic acid
CID 87783144
4-N-(2,2-difluoropropyl)-2-N-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 141169189
2-N-[4-[1-[[(E)-4-methyliminopent-2-en-2-yl]amino]ethenyl]phenyl]-4-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 143437005
2-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-4-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 16656837

Frequently Asked Questions

What is the IUPAC name of fluoromethane;methanol;2-N-(4-methylquinazolin-7-yl)-4-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of fluoromethane;methanol;2-N-(4-methylquinazolin-7-yl)-4-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 143437010) is fluoromethane;methanol;2-N-(4-methylquinazolin-7-yl)-4-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for fluoromethane;methanol;2-N-(4-methylquinazolin-7-yl)-4-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for fluoromethane;methanol;2-N-(4-methylquinazolin-7-yl)-4-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is CF.CO.Cc1ncnc2cc(Nc3nc(NCC(F)(F)F)c4cc[nH]c4n3)ccc12.
What is the InChIKey of fluoromethane;methanol;2-N-(4-methylquinazolin-7-yl)-4-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is AICIYBLNTLIAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N7.CH3F.CH4O/c1-9-11-3-2-10(6-13(11)24-8-23-9)25-16-26-14-12(4-5-21-14)15(27-16)22-7-17(18,19)20;2*1-2/h2-6,8H,7H2,1H3,(H3,21,22,25,26,27);1H3;2H,1H3.
What are the key properties of fluoromethane;methanol;2-N-(4-methylquinazolin-7-yl)-4-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
fluoromethane;methanol;2-N-(4-methylquinazolin-7-yl)-4-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 439.42 g/mol, XLogP of 4.12, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;methanol;2-N-(4-methylquinazolin-7-yl)-4-N-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 143437010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).