5-fluoro-2-hydrazinyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine

C10H12FN5S — CID 80927239

IUPAC5-fluoro-2-hydrazinyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine
SMILESCc1cscc1CNc1nc(NN)ncc1F
InChIInChI=1S/C10H12FN5S/c1-6-4-17-5-7(6)2-13-9-8(11)3-14-10(15-9)16-12/h3-5H,2,12H2,1H3,(H2,13,14,15,16)
InChIKeyZVEUYMZNBROSOB-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.88
Rot. Bonds4

About 5-fluoro-2-hydrazinyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine

5-fluoro-2-hydrazinyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine (PubChem CID 80927239) has the molecular formula C10H12FN5S and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-fluoro-2-hydrazinyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-hydrazinyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine
PubChem CID80927239
Molecular FormulaC10H12FN5S
Molecular Weight253.31 g/mol
Exact Mass253.08
IUPAC Name5-fluoro-2-hydrazinyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine
SMILESCc1cscc1CNc1nc(NN)ncc1F
InChIInChI=1S/C10H12FN5S/c1-6-4-17-5-7(6)2-13-9-8(11)3-14-10(15-9)16-12/h3-5H,2,12H2,1H3,(H2,13,14,15,16)
InChIKeyZVEUYMZNBROSOB-UHFFFAOYSA-N
XLogP1.88
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-fluoro-6-[(3-thienylmethyl)amino]-4(1H)-pyrimidinone hydrazone
CID 66936338
2-chloro-5-fluoro-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 79075689
2-chloro-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 79081737
2-chloro-5-fluoro-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine
CID 80251535
4-N-cyclopropyl-5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
CID 80779345
5-fluoro-4-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
CID 80781143
5-fluoro-2-N,4-N-dimethyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
CID 80781914
2-N-ethyl-5-fluoro-4-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
CID 80781917
5-fluoro-4-N-methyl-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
CID 80782015
4-N-cyclopropyl-2-N-ethyl-5-fluoro-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
CID 80799051
4-N-cyclopropyl-5-fluoro-2-N-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
CID 80799510
4-N-cyclopropyl-5-fluoro-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
CID 80799656

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydrazinyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-hydrazinyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine (CID 80927239) is 5-fluoro-2-hydrazinyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-hydrazinyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-hydrazinyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine is Cc1cscc1CNc1nc(NN)ncc1F.
What is the InChIKey of 5-fluoro-2-hydrazinyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is ZVEUYMZNBROSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5S/c1-6-4-17-5-7(6)2-13-9-8(11)3-14-10(15-9)16-12/h3-5H,2,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-fluoro-2-hydrazinyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine?
5-fluoro-2-hydrazinyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 253.31 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydrazinyl-N-[(4-methylthiophen-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80927239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).