5-(2-aminopyrimidin-4-yl)-N-[(2,6-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C18H15F2N7 — CID 135283793

IUPAC5-(2-aminopyrimidin-4-yl)-N-[(2,6-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2c(F)cccc2F)c2c(-c3ccnc(N)n3)c[nH]c2n1
InChIInChI=1S/C18H15F2N7/c1-9-25-16(23-7-10-12(19)3-2-4-13(10)20)15-11(8-24-17(15)26-9)14-5-6-22-18(21)27-14/h2-6,8H,7H2,1H3,(H2,21,22,27)(H2,23,24,25,26)
InChIKeyHAPIHWIYVZOFQR-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.20
Rot. Bonds4

About 5-(2-aminopyrimidin-4-yl)-N-[(2,6-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

5-(2-aminopyrimidin-4-yl)-N-[(2,6-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 135283793) has the molecular formula C18H15F2N7 and a molecular weight of 367.36 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-4-yl)-N-[(2,6-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(2-aminopyrimidin-4-yl)-N-[(2,6-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID135283793
Molecular FormulaC18H15F2N7
Molecular Weight367.36 g/mol
Exact Mass367.14
IUPAC Name5-(2-aminopyrimidin-4-yl)-N-[(2,6-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2c(F)cccc2F)c2c(-c3ccnc(N)n3)c[nH]c2n1
InChIInChI=1S/C18H15F2N7/c1-9-25-16(23-7-10-12(19)3-2-4-13(10)20)15-11(8-24-17(15)26-9)14-5-6-22-18(21)27-14/h2-6,8H,7H2,1H3,(H2,21,22,27)(H2,23,24,25,26)
InChIKeyHAPIHWIYVZOFQR-UHFFFAOYSA-N
XLogP3.20
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopyrimidin-4-yl)-N-[(2,6-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(2-aminopyrimidin-4-yl)-N-[(2,6-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 135283793) is 5-(2-aminopyrimidin-4-yl)-N-[(2,6-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(2-aminopyrimidin-4-yl)-N-[(2,6-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(2-aminopyrimidin-4-yl)-N-[(2,6-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1nc(NCc2c(F)cccc2F)c2c(-c3ccnc(N)n3)c[nH]c2n1.
What is the InChIKey of 5-(2-aminopyrimidin-4-yl)-N-[(2,6-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is HAPIHWIYVZOFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N7/c1-9-25-16(23-7-10-12(19)3-2-4-13(10)20)15-11(8-24-17(15)26-9)14-5-6-22-18(21)27-14/h2-6,8H,7H2,1H3,(H2,21,22,27)(H2,23,24,25,26).
What are the key properties of 5-(2-aminopyrimidin-4-yl)-N-[(2,6-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
5-(2-aminopyrimidin-4-yl)-N-[(2,6-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 367.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopyrimidin-4-yl)-N-[(2,6-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 135283793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).