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

C19H14F2N4 — CID 110431076

IUPACN-(2,6-difluorophenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(Nc3c(F)cccc3F)nc(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C19H14F2N4/c1-11-10-13-18(22-11)24-17(12-6-3-2-4-7-12)25-19(13)23-16-14(20)8-5-9-15(16)21/h2-10H,1H3,(H2,22,23,24,25)
InChIKeyULIWJFIDQSCTMN-UHFFFAOYSA-N
MW336.35 g/mol
LogP4.96
Rot. Bonds3

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

N-(2,6-difluorophenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110431076) has the molecular formula C19H14F2N4 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110431076
Molecular FormulaC19H14F2N4
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN-(2,6-difluorophenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(Nc3c(F)cccc3F)nc(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C19H14F2N4/c1-11-10-13-18(22-11)24-17(12-6-3-2-4-7-12)25-19(13)23-16-14(20)8-5-9-15(16)21/h2-10H,1H3,(H2,22,23,24,25)
InChIKeyULIWJFIDQSCTMN-UHFFFAOYSA-N
XLogP4.96
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-difluorophenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430319
N-(5-chloro-2-methylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110431209
N-(4-ethylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430982
4-chloro-2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenol
CID 110431245
2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide
CID 110431153
N-(2-methoxyethyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430534
N-(3-methoxypropyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430658
2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]hexanoic acid
CID 110431099
6-methyl-N-phenyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430600
6-methyl-N-propan-2-yl-2-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 155233683
2,6-dimethyl-N-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430273
2-(3-chlorophenyl)-6-methyl-N-pentyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430988

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2,6-difluorophenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 110431076) is N-(2,6-difluorophenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,6-difluorophenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,6-difluorophenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1cc2c(Nc3c(F)cccc3F)nc(-c3ccccc3)nc2[nH]1.
What is the InChIKey of N-(2,6-difluorophenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is ULIWJFIDQSCTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4/c1-11-10-13-18(22-11)24-17(12-6-3-2-4-7-12)25-19(13)23-16-14(20)8-5-9-15(16)21/h2-10H,1H3,(H2,22,23,24,25).
What are the key properties of N-(2,6-difluorophenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(2,6-difluorophenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 336.35 g/mol, XLogP of 4.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110431076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).