2-[[1-(3,4-difluorophenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide;ethane

C16H19F2N5O — CID 145295643

IUPAC2-[[1-(3,4-difluorophenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide;ethane
SMILESCC.NNC(=O)c1cnc(NC2(c3ccc(F)c(F)c3)CC2)nc1
InChIInChI=1S/C14H13F2N5O.C2H6/c15-10-2-1-9(5-11(10)16)14(3-4-14)20-13-18-6-8(7-19-13)12(22)21-17;1-2/h1-2,5-7H,3-4,17H2,(H,21,22)(H,18,19,20);1-2H3
InChIKeySSGCDCBHQSDKTC-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.49
Rot. Bonds4

About 2-[[1-(3,4-difluorophenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide;ethane

2-[[1-(3,4-difluorophenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide;ethane (PubChem CID 145295643) has the molecular formula C16H19F2N5O and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-[[1-(3,4-difluorophenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide;ethane.

Molecular Properties

Compound Name2-[[1-(3,4-difluorophenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide;ethane
PubChem CID145295643
Molecular FormulaC16H19F2N5O
Molecular Weight335.36 g/mol
Exact Mass335.16
IUPAC Name2-[[1-(3,4-difluorophenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide;ethane
SMILESCC.NNC(=O)c1cnc(NC2(c3ccc(F)c(F)c3)CC2)nc1
InChIInChI=1S/C14H13F2N5O.C2H6/c15-10-2-1-9(5-11(10)16)14(3-4-14)20-13-18-6-8(7-19-13)12(22)21-17;1-2/h1-2,5-7H,3-4,17H2,(H,21,22)(H,18,19,20);1-2H3
InChIKeySSGCDCBHQSDKTC-UHFFFAOYSA-N
XLogP2.49
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]amino]pyrimidine-5-carbohydrazide
CID 145295636
2-[[1-(3,5-difluorophenyl)cyclobutyl]amino]pyrimidine-5-carbohydrazide;ethane
CID 145295547
ethane;2-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]pyrimidine-5-carbohydrazide
CID 145295682
2-[[1-(3-methoxyphenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide
CID 129032992
2-[[1-(3-chloro-4-fluorophenyl)cyclopropyl]amino]-N'-(2,2,2-trifluoroacetyl)pyrimidine-5-carbohydrazide
CID 129032907
ethane;2-[[1-(3-fluorophenyl)cyclopropyl]amino]-N'-(2,2,2-trifluoroacetyl)pyrimidine-5-carbohydrazide
CID 145295784
ethane;2-[[1-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]cyclobutyl]amino]pyrimidine-5-carbohydrazide
CID 145295674
ethane;ethyl 2-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]amino]pyrimidine-5-carboxylate
CID 145295737
2-[[1-(4-chloro-2-fluorophenyl)cyclopropyl]amino]-N'-(2,2-difluoroacetyl)pyrimidine-5-carbohydrazide;ethane
CID 145295882
2-[[1-(3,4-difluorophenyl)cyclopropyl]amino]acetamide
CID 156724318
2-[[1-(3-chlorophenyl)cyclopropyl]amino]-N'-(2,2,2-trifluoroacetyl)pyrimidine-5-carbohydrazide
CID 129033045
ethyl 2-[[1-(4-methoxyphenyl)cyclopropyl]amino]pyrimidine-5-carboxylate
CID 129033011

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3,4-difluorophenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide;ethane?
The IUPAC name of 2-[[1-(3,4-difluorophenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide;ethane (CID 145295643) is 2-[[1-(3,4-difluorophenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide;ethane.
What is the SMILES notation for 2-[[1-(3,4-difluorophenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide;ethane?
The canonical SMILES for 2-[[1-(3,4-difluorophenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide;ethane is CC.NNC(=O)c1cnc(NC2(c3ccc(F)c(F)c3)CC2)nc1.
What is the InChIKey of 2-[[1-(3,4-difluorophenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide;ethane?
The InChIKey is SSGCDCBHQSDKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N5O.C2H6/c15-10-2-1-9(5-11(10)16)14(3-4-14)20-13-18-6-8(7-19-13)12(22)21-17;1-2/h1-2,5-7H,3-4,17H2,(H,21,22)(H,18,19,20);1-2H3.
What are the key properties of 2-[[1-(3,4-difluorophenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide;ethane?
2-[[1-(3,4-difluorophenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide;ethane has a molecular weight of 335.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3,4-difluorophenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide;ethane is sourced from PubChem (CID 145295643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).