2-N-[(Z)-1-amino-2-fluoro-2-hydrazinylethenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

C8H11FN8 — CID 145336818

IUPAC2-N-[(Z)-1-amino-2-fluoro-2-hydrazinylethenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESNN/C(F)=C(\N)Nc1nc(N)c2cc[nH]c2n1
InChIInChI=1S/C8H11FN8/c9-4(17-12)6(11)15-8-14-5(10)3-1-2-13-7(3)16-8/h1-2,17H,11-12H2,(H4,10,13,14,15,16)/b6-4+
InChIKeyUTJFKCXGPBFRTH-GQCTYLIASA-N
MW238.23 g/mol
LogP-0.53
Rot. Bonds3

About 2-N-[(Z)-1-amino-2-fluoro-2-hydrazinylethenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

2-N-[(Z)-1-amino-2-fluoro-2-hydrazinylethenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 145336818) has the molecular formula C8H11FN8 and a molecular weight of 238.23 g/mol. Its IUPAC name is 2-N-[(Z)-1-amino-2-fluoro-2-hydrazinylethenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(Z)-1-amino-2-fluoro-2-hydrazinylethenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID145336818
Molecular FormulaC8H11FN8
Molecular Weight238.23 g/mol
Exact Mass238.11
IUPAC Name2-N-[(Z)-1-amino-2-fluoro-2-hydrazinylethenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESNN/C(F)=C(\N)Nc1nc(N)c2cc[nH]c2n1
InChIInChI=1S/C8H11FN8/c9-4(17-12)6(11)15-8-14-5(10)3-1-2-13-7(3)16-8/h1-2,17H,11-12H2,(H4,10,13,14,15,16)/b6-4+
InChIKeyUTJFKCXGPBFRTH-GQCTYLIASA-N
XLogP-0.53
TPSA143.69 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.23
LogP ≤ 5-0.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 151254482
4-amino-7H-pyrrolo[2,3-d]pyrimidine-2-sulfonic acid
CID 73012701
2-methylsulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 144753975
2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 71122482
2-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 135336170
7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride
CID 22736352
2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175868327
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 175179905
2-N-(2-methyl-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 141303235
2-(4-methylphenyl)sulfonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 141391150
2-(pyridin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 135336159
2-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 175868302

Frequently Asked Questions

What is the IUPAC name of 2-N-[(Z)-1-amino-2-fluoro-2-hydrazinylethenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(Z)-1-amino-2-fluoro-2-hydrazinylethenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 145336818) is 2-N-[(Z)-1-amino-2-fluoro-2-hydrazinylethenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(Z)-1-amino-2-fluoro-2-hydrazinylethenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(Z)-1-amino-2-fluoro-2-hydrazinylethenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is NN/C(F)=C(\N)Nc1nc(N)c2cc[nH]c2n1.
What is the InChIKey of 2-N-[(Z)-1-amino-2-fluoro-2-hydrazinylethenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is UTJFKCXGPBFRTH-GQCTYLIASA-N. The full InChI is InChI=1S/C8H11FN8/c9-4(17-12)6(11)15-8-14-5(10)3-1-2-13-7(3)16-8/h1-2,17H,11-12H2,(H4,10,13,14,15,16)/b6-4+.
What are the key properties of 2-N-[(Z)-1-amino-2-fluoro-2-hydrazinylethenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
2-N-[(Z)-1-amino-2-fluoro-2-hydrazinylethenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 238.23 g/mol, XLogP of -0.53, 3 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(Z)-1-amino-2-fluoro-2-hydrazinylethenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 145336818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).