N'-(2-amino-6-chloropyrimidin-4-yl)-4,4,4-trifluorobutanehydrazide

C8H9ClF3N5O — CID 156821364

IUPACN'-(2-amino-6-chloropyrimidin-4-yl)-4,4,4-trifluorobutanehydrazide
SMILESNc1nc(Cl)cc(NNC(=O)CCC(F)(F)F)n1
InChIInChI=1S/C8H9ClF3N5O/c9-4-3-5(15-7(13)14-4)16-17-6(18)1-2-8(10,11)12/h3H,1-2H2,(H,17,18)(H3,13,14,15,16)
InChIKeyUGVLNDVPVZGTDY-UHFFFAOYSA-N
MW283.64 g/mol
LogP1.50
Rot. Bonds4

About N'-(2-amino-6-chloropyrimidin-4-yl)-4,4,4-trifluorobutanehydrazide

N'-(2-amino-6-chloropyrimidin-4-yl)-4,4,4-trifluorobutanehydrazide (PubChem CID 156821364) has the molecular formula C8H9ClF3N5O and a molecular weight of 283.64 g/mol. Its IUPAC name is N'-(2-amino-6-chloropyrimidin-4-yl)-4,4,4-trifluorobutanehydrazide.

Molecular Properties

Compound NameN'-(2-amino-6-chloropyrimidin-4-yl)-4,4,4-trifluorobutanehydrazide
PubChem CID156821364
Molecular FormulaC8H9ClF3N5O
Molecular Weight283.64 g/mol
Exact Mass283.04
IUPAC NameN'-(2-amino-6-chloropyrimidin-4-yl)-4,4,4-trifluorobutanehydrazide
SMILESNc1nc(Cl)cc(NNC(=O)CCC(F)(F)F)n1
InChIInChI=1S/C8H9ClF3N5O/c9-4-3-5(15-7(13)14-4)16-17-6(18)1-2-8(10,11)12/h3H,1-2H2,(H,17,18)(H3,13,14,15,16)
InChIKeyUGVLNDVPVZGTDY-UHFFFAOYSA-N
XLogP1.50
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.64
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-4-N-(4,4,4-trifluorobutyl)pyrimidine-2,4-diamine
CID 79040692
ethyl 2-[2-(2-amino-6-chloropyrimidin-4-yl)hydrazinyl]-2-oxoacetate
CID 146387327
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-N-methylacetamide
CID 112725449
1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(3-chlorophenyl)urea
CID 75524670
N-(6-chloro-2-pyridinyl)-4,4,4-trifluorobutanamide
CID 115683234
ethyl 4-[(2-amino-6-chloropyrimidin-4-yl)amino]pentanoate
CID 133407085
6-[(2-amino-6-chloropyrimidin-4-yl)amino]hexanoate
CID 7013708
4-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]benzoic acid
CID 18388121
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpropane-1,3-diol
CID 79880391
ethyl 3-[(2-amino-6-chloropyrimidin-4-yl)amino]butanoate
CID 133363360
4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
CID 22104151
N-[(E)-2-[(E)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]prop-1-enyl]-3-methylpent-2-enyl]-3-fluoropropanamide;ethene
CID 142060008

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-6-chloropyrimidin-4-yl)-4,4,4-trifluorobutanehydrazide?
The IUPAC name of N'-(2-amino-6-chloropyrimidin-4-yl)-4,4,4-trifluorobutanehydrazide (CID 156821364) is N'-(2-amino-6-chloropyrimidin-4-yl)-4,4,4-trifluorobutanehydrazide.
What is the SMILES notation for N'-(2-amino-6-chloropyrimidin-4-yl)-4,4,4-trifluorobutanehydrazide?
The canonical SMILES for N'-(2-amino-6-chloropyrimidin-4-yl)-4,4,4-trifluorobutanehydrazide is Nc1nc(Cl)cc(NNC(=O)CCC(F)(F)F)n1.
What is the InChIKey of N'-(2-amino-6-chloropyrimidin-4-yl)-4,4,4-trifluorobutanehydrazide?
The InChIKey is UGVLNDVPVZGTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N5O/c9-4-3-5(15-7(13)14-4)16-17-6(18)1-2-8(10,11)12/h3H,1-2H2,(H,17,18)(H3,13,14,15,16).
What are the key properties of N'-(2-amino-6-chloropyrimidin-4-yl)-4,4,4-trifluorobutanehydrazide?
N'-(2-amino-6-chloropyrimidin-4-yl)-4,4,4-trifluorobutanehydrazide has a molecular weight of 283.64 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-amino-6-chloropyrimidin-4-yl)-4,4,4-trifluorobutanehydrazide is sourced from PubChem (CID 156821364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).