6-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[3,2-d]pyrimidin-4-amine

C20H13Cl2F3N4 — CID 153247661

IUPAC6-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(Nc2ncnc3c2N=C(Cc2c(Cl)cccc2Cl)C3)cc1
InChIInChI=1S/C20H13Cl2F3N4/c21-15-2-1-3-16(22)14(15)8-13-9-17-18(28-13)19(27-10-26-17)29-12-6-4-11(5-7-12)20(23,24)25/h1-7,10H,8-9H2,(H,26,27,29)
InChIKeyWSRQTTPXKRJVIX-UHFFFAOYSA-N
MW437.25 g/mol
LogP6.42
Rot. Bonds4

About 6-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[3,2-d]pyrimidin-4-amine

6-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 153247661) has the molecular formula C20H13Cl2F3N4 and a molecular weight of 437.25 g/mol. Its IUPAC name is 6-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID153247661
Molecular FormulaC20H13Cl2F3N4
Molecular Weight437.25 g/mol
Exact Mass436.05
IUPAC Name6-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(Nc2ncnc3c2N=C(Cc2c(Cl)cccc2Cl)C3)cc1
InChIInChI=1S/C20H13Cl2F3N4/c21-15-2-1-3-16(22)14(15)8-13-9-17-18(28-13)19(27-10-26-17)29-12-6-4-11(5-7-12)20(23,24)25/h1-7,10H,8-9H2,(H,26,27,29)
InChIKeyWSRQTTPXKRJVIX-UHFFFAOYSA-N
XLogP6.42
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.25
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2,6-dichlorophenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24882956
6-chloro-5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 63735246
1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 58949655
2-[(2,6-dichlorophenyl)methyl]-5-N-methyl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 143821795
N-(4-tert-butylphenyl)-8-[(2,6-dichlorophenyl)methyl]-7H-purin-6-amine;2,2,2-trifluoroacetic acid
CID 68960389
CID 123750180
CID 123750180
9-(2-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]purin-6-amine
CID 11246262
N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 59346476
6,8-dichloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 86093336
N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 59021462
2-[(2,6-dichlorophenyl)methyl]-N-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 42641006
N-[2-[(2,6-dichlorophenyl)methyl]-4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
CID 121300180

Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[3,2-d]pyrimidin-4-amine (CID 153247661) is 6-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[3,2-d]pyrimidin-4-amine is FC(F)(F)c1ccc(Nc2ncnc3c2N=C(Cc2c(Cl)cccc2Cl)C3)cc1.
What is the InChIKey of 6-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is WSRQTTPXKRJVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2F3N4/c21-15-2-1-3-16(22)14(15)8-13-9-17-18(28-13)19(27-10-26-17)29-12-6-4-11(5-7-12)20(23,24)25/h1-7,10H,8-9H2,(H,26,27,29).
What are the key properties of 6-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[3,2-d]pyrimidin-4-amine?
6-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 437.25 g/mol, XLogP of 6.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 153247661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).